SCHEMBL6982312

SCHEMBL6982312

NC(=O)N1CCN(c2ccc(Cl)cc2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.47
C1S P09871 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
F2 P00734 4/20 0.38
HTR1A P08908 4/20 0.38
DRD4 P21917 1/20 0.38
MAPT P10636 2/20 0.38
HTR7 P34969 2/20 0.37
HTR2A P28223 1/20 0.37
HTR6 P50406 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
AKR1C3 P42330 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ENPP2 Q13822 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6984824 0.94 F10 (0.50) F10C1SALDH1A1LMNAF2
SCHEMBL6979340 0.94 F10 (0.48) F10C1SALDH1A1LMNAF2
SCHEMBL6983362 0.93 HTR1A (0.48) F10C1SALDH1A1LMNAF2
SCHEMBL6982988 0.93 F10 (0.47) F10C1SALDH1A1LMNAF2
SCHEMBL6969289 0.92 F10 (0.47) F10C1SALDH1A1LMNAF2
SCHEMBL6985466 0.92 C1S (0.51) F10C1SALDH1A1F2HTR1A
SCHEMBL6979107 0.92 F10 (0.56) F10C1SALDH1A1LMNAF2
SCHEMBL6980328 0.90 F10 (0.45) F10C1SALDH1A1F2MAPT
SCHEMBL6979694 0.89 F10 (0.42) F10C1SALDH1A1F2HTR1A
SCHEMBL6980071 0.89 F10 (0.45) F10C1SALDH1A1HTR1AMAPT

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 F10 1211/4885C1S 115/4885ALDH1A1 1999/4885

“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.