SCHEMBL19985872

SCHEMBL19985872

COC(=O)CC(c1c(F)cc(OC)cc1F)C(C#N)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL19988401 0.90 KDM4E (0.37) KDM4EGAAKMT2AALDH1A1TAAR1
SCHEMBL19985861 0.85 KMT2A (0.38) KDM4EKMT2AALDH1A1NPC1TP53
SCHEMBL19972236 0.80 SMN1; SMN2 (0.40) KDM4EGAAKMT2AALDH1A1NPC1
SCHEMBL158125 0.78 ALDH1A1 (0.37) KMT2AALDH1A1TAAR1RAB9ASMN1; SMN2
SCHEMBL19972227 0.76 KMT2A (0.38) KDM4EKMT2AALDH1A1NPC1TP53
SCHEMBL756201 0.70 HTT (0.32) GAAKMT2AALDH1A1TP53HSD17B10
SCHEMBL22609776 0.69 PTGS2 (0.40) KMT2AALDH1A1TAAR1HDAC1
SCHEMBL21342460 0.68 KMT2A (0.44) KDM4EGAAKMT2AALDH1A1TAAR1
SCHEMBL2042006 0.68 ALDH1A1 (0.42) KDM4EGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL19972301 0.68 ALDH1A1 (0.36) KMT2AALDH1A1MAPT

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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 KDM4E 4525/4885GAA 3320/4885KMT2A 3931/4885

“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.