SCHEMBL13485035

SCHEMBL13485035

CCn1c(Cl)nc(C=O)c1C(=O)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
SMO Q99835 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
NAAA Q02083 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 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
SCHEMBL13485011 0.99 ALDH1A1 (0.39) ALDH1A1HTTMAPTNPSR1TSHR
SCHEMBL13485020 0.99 ALDH1A1 (0.35) ALDH1A1HTTMAPTNPSR1TSHR
SCHEMBL8276522 0.85 DPP4 (0.34) SMO
SCHEMBL8277752 0.84 DPP4 (0.35) ALDH1A1HTTMAPTSMO
SCHEMBL8276521 0.83 DPP4 (0.34)
SCHEMBL14044575 0.83 JMJD6 (0.36) SMOCHRM2CHRM4CHRM5CHRM1
SCHEMBL1082256 0.72 ALDH1A1 (0.38) ALDH1A1HTTMAPTNPSR1TSHR
SCHEMBL8276520 0.69
SCHEMBL8277746 0.69 JMJD6 (0.34)
SCHEMBL14044576 0.67 MAPT (0.38) ALDH1A1MAPTNPSR1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7667035-B2 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-23 US disclosed
US-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 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-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES CHRM1, CHRM2, CYP3A43 ALDH1A1 1775/4885HTT 1508/4885MAPT 59/4885

“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.