SCHEMBL6729644

SCHEMBL6729644

NCc1cc(-c2ncc(C(=O)N3CCN(S(=O)(=O)c4nc5cc(Cl)ccc5[nH]4)CC3)cn2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.42
KLK1 P06870 1/20 0.42
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRM1 P35372 1/20 0.36
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MGLL Q99685 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6729633 0.94 F10 (0.42) F10KLK1LMNAL3MBTL1CNR1
SCHEMBL6728999 0.93 F10 (0.42) F10KLK1LMNAL3MBTL1OPRM1
SCHEMBL6728830 0.91 F10 (0.48) F10KLK1MEN1MAPTMAPK1
SCHEMBL6729080 0.91 F10 (0.41) F10KLK1LMNAL3MBTL1OPRM1
SCHEMBL6731452 0.89 F10 (0.39) F10KLK1OPRM1CNR1KMT2A
SCHEMBL6728024 0.88 F10 (0.43) F10KLK1LMNAL3MBTL1OPRM1
SCHEMBL6734496 0.87 ALDH1A1 (0.44) F10KLK1LMNAL3MBTL1OPRM1
SCHEMBL6729006 0.86 F10 (0.42) F10KLK1LMNAL3MBTL1CNR1
SCHEMBL6730945 0.85 F10 (0.40) F10KLK1LMNAL3MBTL1OPRM1
SCHEMBL6729076 0.85 F10 (0.40) F10KLK1LMNAL3MBTL1OPRM1

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 3139/4885LMNA 1760/4885

“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.