SCHEMBL19689741

SCHEMBL19689741

O=C(Nc1ccccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ LPL P06858 1/20 0.37
▸ LIPC P11150 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ SLC5A1 P13866 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 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
SCHEMBL17778330 1.00 PHGDH (0.40) PHGDHTRPV1ALDH1A1TSHRMAPT
SCHEMBL17778549 0.95 KDM4E (0.41) PHGDHTRPV1ALDH1A1TSHRMAPT
SCHEMBL19706590 0.89 KDM4E (0.37) TRPV1ALDH1A1TSHRKDM4ECYP2C9
SCHEMBL19689804 0.87 ALDH1A1 (0.37) PHGDHTRPV1ALDH1A1KDM4ECYP2C9
SCHEMBL17618905 0.86 PHGDH (0.41) PHGDHTRPV1ALDH1A1TSHRMAPT
SCHEMBL16238412 0.86 PHGDH (0.41) PHGDHTRPV1ALDH1A1TSHRMAPT
SCHEMBL17778712 0.86 MAPK13 (0.41) SLC5A1MAPK14
SCHEMBL17778498 0.86 PHGDH (0.41) PHGDHTRPV1ALDH1A1TSHRMAPT
SCHEMBL17768001 0.85 ALDH1A1 (0.36) PHGDHALDH1A1KDM4ECYP2C9HPGD
SCHEMBL17778778 0.85 KDM4E (0.36) TRPV1ALDH1A1TSHRKDM4ECYP2C9

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 PHGDH 1058/4885TRPV1 4032/4885ALDH1A1 993/4885

“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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