SCHEMBL17778806

SCHEMBL17778806

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cccc(C(F)(F)F)c4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ SYK P43405 4/20 0.39
▸ PHGDH O43175 2/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL17618393 0.91 KMT2A (0.46) MEN1KMT2AKDM4EUSP2LMNA
SCHEMBL16238412 0.88 PHGDH (0.41) MEN1KMT2AKDM4EUSP2LMNA
SCHEMBL17618905 0.88 PHGDH (0.41) MEN1KMT2AKDM4EUSP2LMNA
SCHEMBL16776220 0.88 PHGDH (0.48) MEN1KMT2AKDM4EUSP2LMNA
SCHEMBL17618351 0.87 PHGDH (0.45) MEN1KMT2ATSHRALDH1A1SYK
SCHEMBL17618909 0.87 ALOX15 (0.44) KDM4ETSHRHSD17B10ALDH1A1KDM1A
SCHEMBL17778323 0.86 KARS1 (0.40) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL16754282 0.86 KARS1 (0.40) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL16238636 0.86 RHOA (0.40) KMOCA2CA9IDH2BRAF
SCHEMBL17618382 0.86 CA2 (0.39) MEN1KMT2AKDM4EUSP2LMNA

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 MEN1 3093/4885KMT2A 1922/4885KDM4E 1355/4885

“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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