SCHEMBL6290772

SCHEMBL6290772

CCOC(=O)c1cnc2c(c(-c3ccccc3)nn2C)c1NC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
ALDH1A1 P00352 6/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 4/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HSD17B10 Q99714 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ALOX15 P16050 1/20 0.49
PDE4B Q07343 2/20 0.48

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
SCHEMBL5961453 0.85 KMT2A (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6293927 0.83 ALDH1A1 (0.58) KMT2AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6290650 0.81 LMNA (0.49) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4072123 0.78 ALDH1A1 (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6290750 0.77 NR3C1 (0.60) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL6290652 0.74 MMP1 (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4062949 0.74 SMN1; SMN2 (0.53) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14133179 0.73 MEN1 (0.59) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6290555 0.72 MAPT (0.69) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5961473 0.72 NR3C1 (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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 6 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
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-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
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
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
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

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

For each of this compound's patents that has machine-readable text (1 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-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors SI, TNF, PTDSS1 MEN1 2211/4885KMT2A 3583/4885MAPT 2347/4885

“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.