SCHEMBL6731452

SCHEMBL6731452

NCc1cc(-c2cnc(C(=O)N3CCN(S(=O)(=O)c4nc5cc(Cl)ccc5[nH]4)CC3)nc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
KLK1 P06870 1/20 0.38
OPRM1 P35372 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6731464 0.94 F10 (0.41) F10KLK1CNR1ALDH1A1KMT2A
SCHEMBL6731779 0.93 F10 (0.40) F10KLK1OPRM1CNR1ALDH1A1
SCHEMBL6726087 0.91 F10 (0.38) F10KLK1OPRM1CNR1ALDH1A1
SCHEMBL6728830 0.89 F10 (0.48) F10KLK1KMT2A
SCHEMBL6729644 0.89 F10 (0.42) F10KLK1OPRM1CNR1ALDH1A1
SCHEMBL6731287 0.88 F10 (0.41) F10KLK1OPRM1ALDH1A1KMT2A
SCHEMBL6731541 0.87 ALDH1A1 (0.44) F10KLK1OPRM1ALDH1A1DRD2
SCHEMBL6728563 0.86 F10 (0.37) F10KLK1OPRM1CNR1ALDH1A1
SCHEMBL6731782 0.86 HRH4 (0.41) F10KLK1CNR1ALDH1A1KMT2A
SCHEMBL6726083 0.85 F10 (0.37) F10KLK1OPRM1GAADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 F10 19/4885KLK1 3139/4885OPRM1 910/4885

“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.