SCHEMBL6980071

SCHEMBL6980071

NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
C1S P09871 1/20 0.39
POLB P06746 1/20 0.39
DHFR P00374 1/20 0.39
HTT P42858 2/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 1/20 0.38
METAP1 P53582 1/20 0.38
HTR1A P08908 1/20 0.38
MAPK1 P28482 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
SCHEMBL6984824 0.91 F10 (0.50) F10ALDH1A1MAPTC1SHTT
SCHEMBL6979340 0.91 F10 (0.48) F10ALDH1A1MAPTC1SHTT
SCHEMBL6982988 0.90 F10 (0.47) F10ALDH1A1MAPTL3MBTL1C1S
SCHEMBL6985466 0.89 C1S (0.51) F10KMT2AALDH1A1MAPTC1S
SCHEMBL6969289 0.89 F10 (0.47) F10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6982312 0.89 F10 (0.47) F10KMT2AMEN1ALDH1A1MAPT
SCHEMBL6979107 0.89 F10 (0.56) F10ALDH1A1C1SACHEHTR1A
SCHEMBL6980328 0.87 F10 (0.45) F10KMT2AMEN1ALDH1A1MAPT
SCHEMBL6981836 0.86 F10 (0.44) F10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6979831 0.86 F10 (0.44) F10KMT2AALDH1A1MAPTC1S

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 1211/4885KMT2A 2267/4885MEN1 3944/4885

“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.