SCHEMBL19689810

SCHEMBL19689810

O=C(NC1CCC1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.40
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2B Q13224 2/20 0.40
▸ IDH2 P48735 7/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ NPY2R P49146 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17768313 0.98 ALDH1A1 (0.44) ALDH1A1KDM1AMAOAMAOBRPS6KB1
SCHEMBL19699711 0.98 ALDH1A1 (0.44) ALDH1A1KDM1AMAOAMAOBRPS6KB1
SCHEMBL17768083 0.97 ALDH1A1 (0.43) ALDH1A1KDM1AMAOAMAOBRPS6KB1
SCHEMBL19689787 0.96 KDM1A (0.43) ALDH1A1KDM1AMAOAMAOBRPS6KB1
SCHEMBL19689772 0.88 CNR2 (0.43) ALDH1A1KDM1AMAOAMAOBIDH2
SCHEMBL17618383 0.88 CNR2 (0.41) ALDH1A1KDM1AIDH2NPY2RSMN1; SMN2
SCHEMBL17778800 0.87 CSNK1E (0.41) ALDH1A1KDM1AMAOAMAOBIDH2
SCHEMBL17618783 0.87 MEN1 (0.47) ALDH1A1IDH2KITLMNAMAPT
SCHEMBL17778371 0.86 ALDH1A1 (0.45) ALDH1A1KDM1AMAOAMAOBRPS6KB1
SCHEMBL19689756 0.86 KMT2A (0.41) ALDH1A1KDM1AMAOAMAOBIDH2

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-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

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 ALDH1A1 993/4885KDM1A 903/4885MAOA 1153/4885

“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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