SCHEMBL3855331

SCHEMBL3855331

O=C1Cc2cc(Cl)ccc2N=C1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
AHR P35869 2/20 0.39
METAP1 P53582 1/20 0.38
ACHE P22303 1/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CMA1 P23946 1/20 0.35
F10 P00742 1/20 0.34
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
AADAT Q8N5Z0 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL4145325 0.74 NOS3 (0.42) PDE3BPDE3AHPGDL3MBTL1MAOA
SCHEMBL8359449 0.72 SRD5A1 (0.42) PDE3BPDE3AAHRMETAP1ACHE
SCHEMBL29293278 0.71 PDE3B (0.41) PDE3BPDE3AAHRMETAP1ACHE
SCHEMBL29292325 0.67 PDE3B (0.38) PDE3BPDE3AAHRMETAP1ACHE
SCHEMBL7463606 0.66 MAPK1 (0.40) PDE3BPDE3AAHRMETAP1ACHE
SCHEMBL3853426 0.66 AHR (0.39) AHRACHEHPGDL3MBTL1MAOA
SCHEMBL31106531 0.66 RXFP1 (0.56) TP53RXFP1MAOAMAOBDHODH
SCHEMBL28958552 0.65 KDM4E (0.48) HPGDMAOBALDH1A1
SCHEMBL1512750 0.64 METAP1 (0.67) AHRMETAP1HPGDL3MBTL1CMA1
SCHEMBL24329834 0.63 ACHE (0.67) PDE3BPDE3AACHEHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 WO 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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 PDE3B 1039/4885PDE3A 985/4885AHR 3613/4885

“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.