SCHEMBL3061065

SCHEMBL3061065

COc1ccc(N)c2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
EP300 Q09472 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
ALDH1A1 P00352 7/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL6194739 0.85 IDO1 (0.50) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL593491 0.84 KDM4E (0.42) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL25748345 0.78 NR3C1 (0.41) IDO1MEN1MAPTKMT2APOLB
SCHEMBL13555276 0.77 BRD4 (0.36) IDO1EP300KAT8ALDH1A1MEN1
SCHEMBL1013714 0.77 NR3C1 (0.40) IDO1ALDH1A1MEN1MAPTKMT2A
SCHEMBL594175 0.77 BRD4 (0.40) IDO1ALDH1A1POLBKDM4ENR3C1
SCHEMBL30483742 0.77 TNF (0.36) IDO1KDM4ELMNANR3C1PGR
SCHEMBL25748525 0.77 TNF (0.36) IDO1KDM4ELMNANR3C1PGR
SCHEMBL5271973 0.77 TDP1 (0.43) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL2983820 0.74 ALDH1A1 (0.38) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321478-A Synthetic method of 4-fluoro-7-nitroindole or derivative thereof 上海代为化学科技有限公司 2021-02-05 CN disclosed
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
EP-0673937-B1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EISAI CO LTD (JP) 2003-11-26 EP disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
US-5767283-A CHEMICAL INTERMEDIATE FOR 7-N-ORGANOSULFONYL-1H-INDOLE DERIVATIVE ANTITUMOR AGENTS; NONTOXIC EISAI CO., LTD. (JP) 1998-06-16 US disclosed
US-5721246-A ANTITUMOR AGENTS; LOW TOXICITY EISAI CO., LTD. (JP) 1998-02-24 US disclosed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 EP 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 (3 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 IDO1 4585/4885EP300 270/4885KAT8 1647/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 IDO1 4585/4885EP300 270/4885KAT8 1647/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 IDO1 4659/4885EP300 422/4885KAT8 1764/4885

“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.