SCHEMBL695341

SCHEMBL695341

Cc1ccc2cc(-c3ccc(F)cc3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 6/20 0.56
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A1 P04798 1/20 0.47
GCGR P47871 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
KIF11 P52732 1/20 0.44
DAO P14920 1/20 0.44
DDO Q99489 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL13183689 0.89 RAB9A (0.54) ITKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18470546 0.86 CYP1A1 (0.57) ITKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL13541758 0.82 RAB9A (0.63) ITKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11659214 0.80 KDM4E (0.67) ITKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL13183625 0.80 HDAC6 (0.49) ITKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1424645 0.80 ITK (0.53) ITKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL695284 0.79 ALDH1A1 (0.57) KDM4EMEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL4568270 0.78 CYP1A1 (0.52) ITKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL17548599 0.77 PTGDR2 (0.46) KDM4EKMT2ACYP1A1ALDH1A1NPC1
SCHEMBL694886 0.77 CYP1A1 (0.44) KDM4EMEN1KMT2ASMN1; SMN2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 ITK 3193/4885KDM4E 2823/4885MEN1 3818/4885

“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.