SCHEMBL6289957

SCHEMBL6289957

CCOC(=O)c1cnc2c(I)cccc2c1Cl

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2017369 0.87 KMT2A (0.71) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2020438 0.87 KMT2A (0.71) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7938727 0.86 KMT2A (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2021172 0.86 KMT2A (0.70) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11244456 0.85 MEN1 (0.68) KMT2AMEN1MAPTKDM4E
SCHEMBL2719292 0.85 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6293263 0.85 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6537339 0.85 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL774503 0.84 MEN1 (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL11241829 0.84 KMT2A (0.67) KMT2AMEN1NPC1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946473-B2 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2005-09-20 US disclosed
CN-1138760-C Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors ���Ͽعɹ�˾ 2004-02-18 CN disclosed
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors AMERICAN CYANAMID COMPANY 2003-11-06 US disclosed
EP-1021413-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS WYETH CORP (US) 2003-06-11 EP disclosed
US-6548524-B2 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID COMPANY 2003-04-15 US disclosed
US-6534491-B2 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY 2003-03-18 US disclosed
EP-1279674-A2 Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors American Cyanamid Company (US) 2003-01-29 EP disclosed
US-6498167-B2 NITROGEN CONTAINING BICYCLIC HETEROAROMATIC COMPOUND CONTAINING SULFONAMIDE AND HYDROXYAMIDE GROUPS, USEFUL IN TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, BONE DISEASE AND HIV INFECTIONS AMERICAN CYANAMID COMPANY 2002-12-24 US disclosed
EP-1157024-B1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID CO (US) 2002-11-06 EP disclosed
US-20020132826-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors WYETH HOLDINGS CORPORATION 2002-09-19 US disclosed
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION 2001-11-29 US disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors WYETH HOLDINGS CORPORATION 2001-09-27 US disclosed
US-6228869-B1 ANTITUMOR, ANTIMETASTASIS, ANTIARTHRITIC, AND WOUND HEALING AGENTS; QUINOLINE AND ISOQUINOLINE DERIVATIVES AMERICAN CYANAMID COMPANY 2001-05-08 US disclosed
CN-1280568-A Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID CO (US) 2001-01-17 CN disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
EP-1021413-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 2000-07-26 EP disclosed
WO-1999018076-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-04-15 WO disclosed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020132826-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, OGFR KMT2A 3640/4885MEN1 4416/4885NPC1 621/4885
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors SI, TNF, PTDSS1 KMT2A 3583/4885MEN1 2211/4885NPC1 2342/4885
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, TGFBR2 KMT2A 3333/4885MEN1 4366/4885NPC1 824/4885
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors MSR1, TIMP3, TGFBR2 KMT2A 3415/4885MEN1 4394/4885NPC1 712/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.