SCHEMBL6983346

SCHEMBL6983346

NC(=O)N1CCC(C2CCN(C(N)=O)CC2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3cccc(Cl)c3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
F2 P00734 5/20 0.35
F10 P00742 3/20 0.35
MAPK14 Q16539 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6974985 0.92 F2 (0.41) ALDH1A1F2F10MAPK14CYP1A2
SCHEMBL6983362 0.86 HTR1A (0.48) ALDH1A1LMNAKMT2AF2F10
SCHEMBL6980804 0.85 KMT2A (0.38) ALDH1A1KMT2AF2F10MAPK14
SCHEMBL6979249 0.84 F2 (0.41) LMNAF2F10MAPK14
SCHEMBL6979913 0.84 F2 (0.39) KMT2AF2F10MAPK14MEN1
SCHEMBL6981565 0.84 F10 (0.38) ALDH1A1F2F10MAPK14KDM4E
SCHEMBL6983681 0.83 F2 (0.42) ALDH1A1F2F10MAPK14CYP1A2
SCHEMBL6979762 0.83 F2 (0.41) ALDH1A1LMNAKMT2AF2F10
SCHEMBL6982312 0.82 F10 (0.47) ALDH1A1LMNAKMT2AF2F10
SCHEMBL6978159 0.82 F10 (0.42) ALDH1A1LMNAF2F10MAPK14

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 1999/4885LMNA 460/4885KMT2A 2267/4885

“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.