SCHEMBL17618413

SCHEMBL17618413

Cc1cc2c(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)cccc2nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMPD3 Q9NY59 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL16250013 0.87 KDM1A (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL16754683 0.87 MAPT (0.38) MAPTKDM4EPKMNPSR1RAB9A
SCHEMBL17618410 0.85 TRPV1 (0.42) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL19670218 0.84 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL17618400 0.84 SCN9A (0.38) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL17618417 0.83 KMT2A (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL17618357 0.83 RPS6KB1 (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL17618783 0.83 MEN1 (0.47) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL19689772 0.82 CNR2 (0.43) KMT2AMEN1ALDH1A1TSHRKDM1A
SCHEMBL17618351 0.82 PHGDH (0.45) MAPTKMT2AMEN1ALDH1A1TSHR

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 303/4885KMT2A 1287/4885MEN1 3505/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 267/4885KMT2A 1438/4885MEN1 3676/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 267/4885KMT2A 1438/4885MEN1 3676/4885

“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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