SCHEMBL17618579

SCHEMBL17618579

O=C(Nc1cccc(C2(C(F)(F)F)N=N2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCCC1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 8/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ KIF18A Q8NI77 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RHOA P61586 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16238556 0.95 IDH2 (0.40) IDH2LMNAKDM4EUSP2TSHR
SCHEMBL19365411 0.91 IDH2 (0.40) IDH2LMNAKDM4EUSP2ALOX15
SCHEMBL16785606 0.86 IDH2 (0.40) IDH2LMNAKDM4EUSP2TSHR
SCHEMBL17618783 0.86 MEN1 (0.47) IDH2LMNAKDM4EUSP2ALOX15
SCHEMBL17624591 0.85 IDH2 (0.42) IDH2LMNAKDM4EUSP2ALOX15
SCHEMBL16249947 0.85 IDH2 (0.42) IDH2LMNAKDM4EUSP2ALOX15
SCHEMBL19365635 0.85 IDH2 (0.42) IDH2LMNAKDM4EUSP2ALOX15
SCHEMBL17618878 0.85 IDH2 (0.42) IDH2LMNAKDM4EUSP2ALOX15
SCHEMBL17624590 0.85 HTR2C (0.47) IDH2LMNAKDM4EUSP2ALOX15
SCHEMBL16250014 0.85 HTR2C (0.47) IDH2LMNAKDM4EUSP2ALOX15

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 IDH2 42/4885LMNA 3671/4885KDM4E 1109/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885LMNA 3617/4885KDM4E 950/4885

“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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