SCHEMBL10178435

SCHEMBL10178435

Cc1ccc(NC(=O)c2ccc(C(=N)N3CCCC3)cc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
KMT2A Q03164 3/20 0.51
MCL1 Q07820 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
F10 P00742 5/20 0.46
F2 P00734 2/20 0.46
PLAU P00749 2/20 0.46
PLAT P00750 2/20 0.46
PLG P00747 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL13348752 0.99 MAPT (0.52) MAPTKMT2AMCL1KDM4EALDH1A1
SCHEMBL13348731 0.91 F10 (0.49) MAPTKMT2AMCL1ALDH1A1GLA
SCHEMBL12134539 0.91 MAPT (0.50) MAPTKMT2AMCL1KDM4EALDH1A1
SCHEMBL13348778 0.90 MAPT (0.52) MAPTKMT2AMCL1KDM4EALDH1A1
SCHEMBL13349171 0.90 F10 (0.49) MAPTKMT2AMCL1ALDH1A1NPC1
SCHEMBL12134535 0.89 MAPT (0.47) MAPTKMT2AMCL1KDM4EALDH1A1
SCHEMBL12134273 0.88 NPC1 (0.55) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL12134658 0.88 F10 (0.53) F10F2KCNH2
SCHEMBL10178592 0.87 NPC1 (0.54) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL13348734 0.87 RXFP1 (0.48) MAPTKMT2AMCL1KDM4EALDH1A1

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-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 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-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 MAPT 4514/4885KMT2A 1317/4885MCL1 659/4885

“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.