SCHEMBL14897864

SCHEMBL14897864

O=C(Nc1nccs1)c1ccnc2cc(-c3ccccc3C(F)(F)F)nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ LMNA P02545 2/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL16116471 0.85 SCD (0.46) HPGDKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL14897730 0.85 KMO (0.42) L3MBTL1NPC1RAB9ALMNAALDH1A1
SCHEMBL14896963 0.85 HPGD (0.44) HPGDKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL14897816 0.84 NPC1 (0.44) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL14897487 0.83 BRAF (0.49) LMNAALDH1A1POLBGAA
SCHEMBL14881572 0.83 TRPV1 (0.42) SMN1; SMN2NPC1RAB9ACYP1A2KDM4E
SCHEMBL14897927 0.82 HPGD (0.52) HPGDKMT2AL3MBTL1SMN1; SMN2MAPK8
SCHEMBL14897488 0.81 CHRNB2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL14897930 0.81 RBP4 (0.41) —
SCHEMBL14897564 0.81 SGMS2 (0.46) SMN1; SMN2LMNAALDH1A1CYP1A2CYP3A4

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-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 — — US disclosed
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 — — US disclosed
WO-2013059594-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — 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-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HPGD 308/4885KMT2A 529/4885L3MBTL1 2542/4885

“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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