SCHEMBL1432083

SCHEMBL1432083

Nc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H]2CCCN2Cc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 8/20 0.47
▸ F2 P00734 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ XIAP P98170 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ MASP2 O00187 2/20 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
SCHEMBL1432037 1.00 TACR1 (0.47) TACR1F2HDAC1HDAC2HDAC3
Trifluoroacetic Acid SCHEMBL1433925 0.96 XIAP (0.45) TACR1F2HDAC1HDAC2HDAC3
SCHEMBL1433063 0.91 HDAC1 (0.44) TACR1F2HDAC1HDAC2HDAC3
SCHEMBL1431568 0.87 TACR1 (0.44) TACR1XIAPITGB1ITGA4MASP2
SCHEMBL1432028 0.87 HDAC1 (0.40) F2HDAC1HDAC2HDAC3XIAP
SCHEMBL1432334 0.86 F2 (0.46) F2HDAC1HDAC2HDAC3XIAP
SCHEMBL1432215 0.86 TACR1 (0.45) TACR1F2XIAPMASP2
SCHEMBL1432153 0.85 TACR1 (0.43) TACR1XIAPITGB1ITGA4MASP2
SCHEMBL1432977 0.84 F2 (0.49) F2ITGB1ITGA4
Hydrochloric Acid SCHEMBL3256738 0.84 TACR1 (0.46) TACR1XIAP

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — US disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 TACR1 953/4885F2 1046/4885HDAC1 1534/4885

“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.

Send feedback