SCHEMBL6603981

SCHEMBL6603981

CSc1ccccc1-c1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.56
CYP11B2 P19099 2/20 0.56
NSD2 O96028 6/20 0.52
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
KMT2A Q03164 2/20 0.44
PGR P06401 1/20 0.44
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
MMP12 P39900 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MAPT P10636 1/20 0.41
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KIF11 P52732 1/20 0.40

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
SCHEMBL24855219 0.78 NSD2 (0.61) CYP11B1CYP11B2NSD2PDE3BPDE3A
SCHEMBL24855582 0.77 CYP11B1 (0.56) CYP11B1CYP11B2NSD2PDE3BPDE3A
SCHEMBL30800907 0.77 CYP11B1 (0.56) CYP11B1CYP11B2NSD2PDE3BPDE3A
SCHEMBL6603273 0.76 BRD4 (0.44) KMT2AMAPTRXFP1
SCHEMBL24855141 0.76 NSD2 (0.56) CYP11B1CYP11B2NSD2PDE3BPDE3A
SCHEMBL19188092 0.74 MMP12 (0.62) CYP11B1CYP11B2NSD2PDE3BPDE3A
SCHEMBL13932048 0.72 NR3C2 (0.60) KMT2AMEN1CYP2C19HTTMMP12
SCHEMBL4258391 0.72 NR3C2 (0.60) KMT2AMEN1CYP2C19HTTMMP12
SCHEMBL1120115 0.72 CYP11B1 (1.00) CYP11B1CYP11B2NSD2PDE3BPDE3A
SCHEMBL30494449 0.71 CYP11B1 (0.64) CYP11B1CYP11B2NSD2PDE3BPDE3A

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-1196412-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-09 EP disclosed
US-6716841-B2 SUCH AS 1-((1-(3-(AMINOMETHYL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)CARBONYL) -5-(2-( AMINOSULFONYL)PHENYL)-2,3-DIHYDRO-1H-INDOLE FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS; ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-06 US disclosed
US-20030096820-A1 Nitrogen containing heterobicycles as factor Xa inhibitors JACOBSON IRINA C (US) 2003-05-22 US disclosed
US-6429205-B1 ANTICOAGULANTS BRISTOL-MEYERS SQUIBB PHARMA COMPANY 2002-08-06 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-20030096820-A1 Nitrogen containing heterobicycles as factor Xa inhibitors SERPINC1, CTRB1, F2 CYP11B1 1202/4885CYP11B2 2168/4885NSD2 2089/4885

“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.