SCHEMBL19706914

SCHEMBL19706914

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 7/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ CALCRL Q16602 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ UCHL1 P09936 1/20 0.34

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
SCHEMBL19706685 0.89 IDH2 (0.41) IDH2TRPV3KDM1AALDH1A1CNR1
SCHEMBL17768260 0.81 KMT2A (0.40) IDH2KDM1AALDH1A1CNR1CNR2
SCHEMBL20632424 0.80 KDM1A (0.46) IDH2KDM1AALDH1A1CNR1CNR2
SCHEMBL19865056 0.79 IDH2 (0.38) IDH2KDM1ACALCRLSMN1; SMN2CNR2
SCHEMBL19706053 0.78 IDH2 (0.39) IDH2KDM1ACNR2
SCHEMBL19706975 0.78 IDH2 (0.36) IDH2KDM1ACTSSCTSKMAOA
SCHEMBL19364920 0.78 IDH2 (0.40) IDH2KDM1AALDH1A1KMT2AMAOA
SCHEMBL19365673 0.78 RHOA (0.39) IDH2KDM1ACNR2MAOAMAOB
SCHEMBL19706095 0.78 CHRM3 (0.41) IDH2CNR1CNR2
SCHEMBL19346988 0.78 CASP6 (0.41) IDH2TLR8ALDH1A1TSHRKMT2A

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 1 patent. 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

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 IDH2 34/4885TRPV3 4258/4885SCN9A 2898/4885

“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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