SCHEMBL1740334

SCHEMBL1740334

CCC(CC)c1nccn1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
FPR2 P25090 6/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL27625281 0.84 SMN1; SMN2 (0.43) SMN1; SMN2FPR2KDM4EMAPT
Hydrochloric Acid SCHEMBL28364110 0.75 SMN1; SMN2 (0.44) SMN1; SMN2FPR2KDM4EMAPTKMT2A
Bromide SCHEMBL28364106 0.75 SMN1; SMN2 (0.41) SMN1; SMN2FPR2KDM4EMAPTKMT2A
SCHEMBL29247131 0.73 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EKMT2A
SCHEMBL1353073 0.72 ALPG (0.41) KDM4EMAPTKMT2A
SCHEMBL23409262 0.71 KDM4E (0.47) SMN1; SMN2KDM4EKMT2A
SCHEMBL14148932 0.71 L3MBTL1 (0.46) SMN1; SMN2KDM4EL3MBTL1MAPTKMT2A
Ethane SCHEMBL27625282 0.70 ALPG (0.40) KDM4EMAPTKMT2A
SCHEMBL28525336 0.70 KMT2A (0.39) SMN1; SMN2FPR2KDM4EKMT2A
SCHEMBL298299 0.70

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-12-29 US disclosed
EP-2389366-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-11-30 EP disclosed
US-8040502-B2 Optical inspection of flat media using direct image technology WDI WISE DEVICE INC. (CA) 2011-10-18 US disclosed
US-20110212891-A1 AZEPINONE DERIVATIVES MSD K.K. 2011-09-01 US disclosed
EP-2358735-A1 AZEPINONE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010084979-A1 BENZODIAZEPIN-2-ON DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-07-29 WO disclosed
WO-2010056496-A1 AZEPINONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-05-20 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 (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-20110212891-A1 AZEPINONE DERIVATIVES AZI2, NDUFS3, RPS4Y1 SMN1; SMN2 4372/4885FPR2 3671/4885KDM4E 530/4885
US-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES DGAT1, DGAT2, GRIN1 SMN1; SMN2 4140/4885FPR2 1900/4885KDM4E 2740/4885

“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.