SCHEMBL6979592

SCHEMBL6979592

Cc1ccc(C(=O)O)c(CCc2ccccc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
GPR52 Q9Y2T5 1/20 0.39
MYC P01106 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOTUM Q6P988 1/20 0.39
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX3 P56373 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
SCHEMBL6981891 0.89 SIRT2 (0.44) ALDH1A1FFAR1SMN1; SMN2HPGDGPR52
SCHEMBL6979589 0.88 MCL1 (0.41) MCL1BCL2A1ALDH1A1FFAR1SMN1; SMN2
SCHEMBL7036187 0.86 ALDH1A1 (0.42) ALDH1A1HPGDMYCNOTUMHTT
SCHEMBL7160625 0.82 KDM4E (0.41) MCL1ALDH1A1HPGDMYCNOTUM
SCHEMBL1166297 0.81 FFAR1 (0.52) MCL1BCL2A1ALDH1A1FFAR1SMN1; SMN2
SCHEMBL6981887 0.80 SIRT2 (0.44) ALDH1A1FFAR1SMN1; SMN2HPGDGPR52
SCHEMBL7204830 0.79 HPGD (0.50) ALDH1A1SMN1; SMN2HPGDGPR52MYC
SCHEMBL10983387 0.78 GABRP (0.46) ALDH1A1SMN1; SMN2HPGDMYCRAB9A
SCHEMBL27331130 0.76 ALDH1A1 (0.52) ALDH1A1FFAR1SMN1; SMN2HPGDNPC1
SCHEMBL8647436 0.74 G6PD (0.57) MCL1BCL2A1ALDH1A1FFAR1SMN1; SMN2

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 MCL1 1537/4885BCL2A1 337/4885ALDH1A1 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.