SCHEMBL6713348

SCHEMBL6713348

O=C(Nc1ccc(Cl)cc1-c1nnn[nH]1)c1cc2ccccc2n1CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.41
CNR2 P34972 5/20 0.41
F10 P00742 2/20 0.40
ECE1 P42892 1/20 0.39
CCR2 P41597 3/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
CCKAR P32238 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM4 Q14833 1/20 0.37
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36

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
SCHEMBL6710324 0.91 ROCK1 (0.50) ROCK1F10CCR2MEN1CCKAR
SCHEMBL6709127 0.90 CNR2 (0.41) ROCK1CNR2ECE1ALDH1A1TSHR
SCHEMBL6707974 0.90 CNR2 (0.42) ROCK1CNR2F10ALDH1A1TSHR
SCHEMBL6708731 0.89 CNR2 (0.46) CNR2F10ALDH1A1TSHRHTT
SCHEMBL6710348 0.88 ALDH1A1 (0.41) ROCK1CNR2F10CCR2ALDH1A1
SCHEMBL6710061 0.88 CNR2 (0.45) ROCK1CNR2ECE1ALDH1A1TSHR
SCHEMBL6710275 0.86 HDAC3 (0.43) ROCK1CNR2F10CCR2ALDH1A1
SCHEMBL6711933 0.86 PTGDR2 (0.43) ROCK1F10CCR2ALDH1A1TSHR
SCHEMBL6708039 0.84 F10 (0.40) ROCK1F10CCR2ALDH1A1TSHR
SCHEMBL6708584 0.84 ROCK1 (0.38) ROCK1CNR2F10CCR2ALDH1A1

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 ROCK1 4830/4885CNR2 3985/4885F10 2246/4885

“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.