SCHEMBL18366189

SCHEMBL18366189

O=Cc1ncc2ccc(C(F)(F)F)cn12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.40
RIPK1 Q13546 1/20 0.35
SCN5A Q14524 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
USP7 Q93009 1/20 0.31
EIF2AK4 Q9P2K8 3/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL18376117 0.76 RIPK1 (0.45) SSTR4RIPK1SCN5AALDH1A1KDM4E
SCHEMBL18372677 0.75 SSTR4 (0.43) SSTR4RIPK1SCN5AALDH1A1SMN1; SMN2
SCHEMBL30587644 0.72 KMT2A (0.47) SSTR4RIPK1KDM4EKMT2AUSP7
SCHEMBL16255866 0.70 SSTR4 (0.50) SSTR4RIPK1SCN5AALDH1A1SMN1; SMN2
SCHEMBL2435410 0.67 RAB9A (0.55) ALDH1A1SMN1; SMN2KDM4EHSD17B10KMT2A
SCHEMBL26634827 0.66 SSTR4 (0.35) SSTR4KDM4E
SCHEMBL12945003 0.65 SCN5A (0.69) SSTR4SCN5AALDH1A1KDM4EHSD17B10
SCHEMBL25371122 0.65 MAPK14 (0.35) KDM4EHSD17B10
SCHEMBL24997463 0.65 KMT2A (0.32) ALDH1A1KMT2APOLBL3MBTL1
SCHEMBL472513 0.62 KMT2A (0.47) ALDH1A1SMN1; SMN2KDM4EKMT2AL3MBTL1

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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 SSTR4 2731/4885RIPK1 3064/4885SCN5A 2375/4885

“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.