SCHEMBL17778879

SCHEMBL17778879

COc1cccc2onc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL17767969 1.00 KCNA5 (0.37) KCNA5LMNAHSD17B10USP2TP53
SCHEMBL17618405 0.85 KMT2A (0.40) LMNAHSD17B10USP2TP53POLB
SCHEMBL17618783 0.81 MEN1 (0.47) LMNAHSD17B10USP2ALOX15TSHR
SCHEMBL19689772 0.81 CNR2 (0.43) TSHRMEN1KMT2AALDH1A1
SCHEMBL17618348 0.80 IDH2 (0.45) LMNAFAAHSMN1; SMN2MAPTMEN1
SCHEMBL17618352 0.80 TRPV1 (0.40) LMNAHSD17B10USP2ALOX15TSHR
SCHEMBL17618367 0.80 FAAH (0.41) FAAH
SCHEMBL17618382 0.80 CA2 (0.39) LMNAHSD17B10USP2TSHRSMN1; SMN2
SCHEMBL17618356 0.80 NPC1 (0.38) LMNAHSD17B10USP2TP53POLB
SCHEMBL19670120 0.80 SCN10A (0.43) LMNAHSD17B10USP2TSHRSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KCNA5 3649/4885LMNA 3510/4885HSD17B10 1577/4885

“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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