SCHEMBL14897337

SCHEMBL14897337

Cc1ccc(NC(=O)c2c(C)nc3ccc(-c4ccccc4Br)nn23)nn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 1/20 0.39
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ TP53 P04637 1/20 0.38
▸ WNT3A P56704 2/20 0.38
▸ EPHB3 P54753 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CSNK1D P48730 2/20 0.35
▸ CSNK1E P49674 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL14897329 0.90 MAPT (0.37) NPC1RAB9ATP53WNT3AEPHB3
SCHEMBL16265183 0.90 NPC1 (0.39) SORT1NPC1RAB9ATP53WNT3A
SCHEMBL14896921 0.88 NPC1 (0.39) NPC1RAB9ATP53WNT3AEPHB3
SCHEMBL14897228 0.88 NPC1 (0.40) NPC1RAB9ATP53WNT3AALDH1A1
SCHEMBL14896803 0.88 EPHB3 (0.41) NPC1RAB9ATP53WNT3AEPHB3
SCHEMBL14897468 0.85 NPC1 (0.36) SORT1NPC1RAB9ATP53TGFBR1
SCHEMBL14896824 0.83 SCN10A (0.43) NPC1RAB9ATP53
SCHEMBL14897250 0.80 NPC1 (0.37) NPC1RAB9ATP53WNT3AALDH1A1
SCHEMBL14896947 0.80 EPHB3 (0.40) NPC1RAB9ATP53WNT3AEPHB3
SCHEMBL14897642 0.80 RAB9A (0.42) NPC1RAB9ATP53ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 — — WO disclosed
WO-2013059587-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 (2 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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SORT1 4786/4885NPC1 3941/4885RAB9A 1062/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SORT1 4786/4885NPC1 3941/4885RAB9A 1062/4885

“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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