SCHEMBL6284879

SCHEMBL6284879

COc1ccc(CC(=O)NC(=O)c2[c]cccc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 2/20 0.44
PLAU P00749 1/20 0.44
ELANE P08246 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NLRP3 Q96P20 1/20 0.43
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.42
CNR2 P34972 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL6698677 0.77 ALDH1A1 (0.35) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7905681 0.71 HTT (0.71) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5846730 0.71 HTT (0.50) HTTNPC1PLAUELANESMN1; SMN2
SCHEMBL17993501 0.70 HTT (0.65) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4162497 0.70 HTT (0.65) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6790765 0.69 ALDH1A1 (0.52) NPC1ALDH1A1MAPTLMNAKMT2A
SCHEMBL4928502 0.69 HTT (0.73) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2494898 0.69 HTT (0.73) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6484868 0.69 ALDH1A1 (0.35) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7088459 0.68 ALOX5 (0.41) SMN1; SMN2ALDH1A1LMNAKMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852761-B2 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-02-08 US disclosed
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-12-25 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-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT HTT 1458/4885NPC1 3503/4885RAB9A 4407/4885

“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.