SCHEMBL6978341

SCHEMBL6978341

Nc1nccc2ccc(C(=O)N(CC(=O)NCc3ccc4c(c3)OCO4)c3ccccc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
USP2 O75604 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6982268 0.85 HDAC1 (0.45) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL6981804 0.82 KMT2A (0.46) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL6983621 0.80 SMN1; SMN2 (0.48) ALDH1A1TSHRUSP2KMT2AMEN1
SCHEMBL6982561 0.76 NPC1 (0.44) ALDH1A1TSHRKMT2ANPC1MAPT
SCHEMBL6983671 0.70 TAOK3 (0.48) ALDH1A1MAPTLMNA
SCHEMBL6983681 0.70 F2 (0.42) ALDH1A1HPGD
SCHEMBL6974985 0.68 F2 (0.41) ALDH1A1
SCHEMBL8124012 0.68 F10 (0.42) ALDH1A1MAPT
SCHEMBL6980408 0.68 ALDH1A1 (0.37) ALDH1A1MAPTHPGD
SCHEMBL6984824 0.68 F10 (0.50) ALDH1A1TSHRMAPTLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 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 (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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL ALDH1A1 1999/4885TSHR 2295/4885USP2 487/4885

“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.