Sugi Predict

Sugi Predict / Compounds / SCHEMBL10274629

SCHEMBL10274629

SCHEMBL10274629

CCc1cc(-c2ccccc2)on1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.68
▸ RAB9A P51151 7/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ NPC1 O15118 6/20 0.55
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PPARA Q07869 1/20 0.45
▸ PTGS2 P35354 1/20 0.44

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
SCHEMBL28319063 0.85 NOTUM (0.64) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL12151294 0.83 TDP1 (0.56) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL17922502 0.82 NOTUM (0.47) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL14541437 0.81 NOTUM (0.70) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL8418866 0.81 MAPT (0.51) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL4898776 0.81 NOTUM (0.47) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL14552880 0.81 RAB9A (0.67) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL9404417 0.81 CYP2C19 (0.47) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL12717804 0.81 RAB9A (0.61) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL2538472 0.81 NOTUM (0.68) NOTUMRAB9AALDH1A1SMN1; SMN2TDP1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107936108-A Liquid phase synthesis method of snake venom-like tripeptide 陕西慧康生物科技有限责任公司 2018-04-20 — — CN claimed
CN-110099682-A Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2019-08-06 — — CN disclosed
CN-108642023-A A kind of laccase composite modifying method and its application 华南农业大学 2018-10-12 — — CN disclosed
CN-107936108-A Liquid phase synthesis method of snake venom-like tripeptide 陕西慧康生物科技有限责任公司 2018-04-20 — — CN disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 — — US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 — — US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — US disclosed
EP-1553949-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-18 — — EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — WO disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 — — US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 — — US disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 — — US disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 — — US disclosed
CN-1051914-A The peptide class MERRELL DOW PHARMA 1991-06-05 — — CN disclosed
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 — — US 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 NOTUM 886/4885RAB9A 997/4885ALDH1A1 2784/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 NOTUM 4176/4885RAB9A 1250/4885ALDH1A1 408/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 NOTUM 232/4885RAB9A 3433/4885ALDH1A1 3580/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 NOTUM 62/4885RAB9A 4305/4885ALDH1A1 451/4885

“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.