SCHEMBL16265239

SCHEMBL16265239

CCOc1ccc(NC(=O)c2c(C)nc3ccc(-c4ccccc4Cl)nn23)nn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL14897343 0.91 MAPT (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL14896912 0.91 EPHB3 (0.39) EPHB3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14896995 0.90 ADORA2A (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL14897685 0.87 HTR2A (0.36) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL14896803 0.87 EPHB3 (0.41) EPHB3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14896733 0.86 RIPK1 (0.40) KMT2AMEN1MAPTTP53
SCHEMBL14896947 0.85 EPHB3 (0.40) EPHB3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16265217 0.82 MEN1 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL14897250 0.82 NPC1 (0.37) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL14897208 0.82 EPHB3 (0.40) EPHB3ALDH1A1SMN1; SMN2KMT2AMEN1

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-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
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

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 EPHB3 4698/4885ALDH1A1 1480/4885SMN1; SMN2 2001/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EPHB3 4698/4885ALDH1A1 1480/4885SMN1; SMN2 2001/4885

“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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