SCHEMBL5568085

SCHEMBL5568085

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2N(C)CC(=O)Nc2ccccn2)cc(OC)c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 5/20 0.40
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
F10 P00742 1/20 0.38
MEN1 O00255 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.37
F2 P00734 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37

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
SCHEMBL5569462 0.90 F10 (0.36) KMT2APOLBSMN1; SMN2MAPTL3MBTL1
SCHEMBL5563505 0.87 UBE2N (0.45) KMT2APOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5565420 0.86 KDM4E (0.41) PKMKMT2APOLBSMN1; SMN2MAPT
SCHEMBL5563126 0.85 NOTUM (0.48) TP53RAB9AKMT2APOLBSMN1; SMN2
SCHEMBL5563625 0.85 RAB9A (0.46) NPC1RAB9APKMKMT2APOLB
SCHEMBL5563884 0.85 KDM4E (0.40) NPC1TP53RAB9APKMKMT2A
SCHEMBL5565590 0.84 ALDH1A1 (0.42) TP53KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL5567716 0.84 ALDH1A1 (0.43) NPC1TP53RAB9AKMT2APOLB
SCHEMBL5568637 0.84 MAPT (0.42) KMT2APOLBSMN1; SMN2MAPTL3MBTL1
SCHEMBL5563924 0.83 KLKB1 (0.39) TP53KMT2APOLBSMN1; SMN2MAPT

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
US-7247654-B2 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-24 US claimed
EP-1628947-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-01 EP claimed
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 US claimed
WO-2004110374-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 WO claimed

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-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 NPC1 4049/4885TP53 4168/4885RAB9A 721/4885

“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.