SCHEMBL2397723

SCHEMBL2397723

O=C(c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1)N(Cc1ccc(Oc2ccccc2)cc1)Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
PSMB5 P28074 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
GRM2 Q14416 2/20 0.39
MAPT P10636 1/20 0.39
PDK1 Q15118 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
LPAR1 Q92633 3/20 0.38
LPAR5 Q9H1C0 3/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 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
SCHEMBL2213849 0.93 LPAR1 (0.42) LPAR1LPAR5
SCHEMBL2399030 0.93 ALKBH5 (0.44) ALKBH5TRPM8ALDH1A1MAPTPDK1
SCHEMBL2396029 0.88 LPAR1 (0.48) TRPM8MAPTLPAR1LPAR5
SCHEMBL2398024 0.87 NOTUM (0.41) ALKBH5TRPM8ALDH1A1GAAMAPT
SCHEMBL2397613 0.86 ALKBH5 (0.41) ALKBH5TRPM8ALDH1A1MAPTPDK1
SCHEMBL2398510 0.85 ALKBH5 (0.40) ALKBH5TRPM8ALDH1A1GAAMAPT
SCHEMBL2399028 0.84 LPAR1 (0.37) ALDH1A1MAPTLPAR1LPAR5KMT2A
SCHEMBL2399236 0.84 GRM2 (0.42) TRPM8GRM2PDK1GPBAR1HSD17B13
SCHEMBL2397112 0.84 NOTUM (0.38) MAPTLPAR1LPAR5
SCHEMBL2215538 0.83 LPAR1 (0.40) MAPTLPAR1LPAR5KMT2AMEN1

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-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US claimed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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 (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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ALKBH5 4769/4885TRPM8 1546/4885PSMB5 2053/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 ALKBH5 4555/4885TRPM8 1052/4885PSMB5 2743/4885

“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.