SCHEMBL2305347

SCHEMBL2305347

O=C(O)C1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.47
▸ KDM1A O60341 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDE2A O00408 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL12242089 0.84 KMO (0.43) KMOKDM1AKDM4ESMN1; SMN2MAOB
SCHEMBL2305775 0.84 KDM1A (0.46) KMOKDM1AALDH1A1KDM4EMEN1
SCHEMBL12242080 0.83 SMN1; SMN2 (0.46) KMOKDM1AKDM4ESMN1; SMN2
SCHEMBL11643041 0.83 KMO (0.48) KMOKDM1AALDH1A1KDM4EMEN1
SCHEMBL12242079 0.82 KDM1A (0.44) KMOKDM1AALDH1A1PDE2AMAOB
Hydrochloric Acid SCHEMBL11519661 0.82 ADORA1 (0.37) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12242068 0.82 KMO (0.41) KMOKDM4ECTSKSMN1; SMN2
SCHEMBL2303641 0.81 KDM1A (0.52) KMOKDM1AALDH1A1KDM4EMEN1
SCHEMBL12242085 0.81 ALOX15 (0.48) KMOKDM1ASMN1; SMN2MAOB
SCHEMBL12242049 0.81 EGFR (0.42) KMOCFTRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 — — US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 — — US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 — — US disclosed
EP-2350051-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-08-03 — — EP disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 — — WO disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 — — 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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 KMO 208/4885KDM1A 780/4885ALDH1A1 2062/4885

“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.

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