SCHEMBL2397910

SCHEMBL2397910

CON(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
SLC2A1 P11166 1/20 0.37
CCR1 P32246 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
NPBWR1 P48145 1/20 0.35
ALOX5 P09917 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL2398352 0.88 TACR1 (0.42) NOTUMHSD17B13TRPM8CCR1KCNH2
SCHEMBL2214205 0.88 SLC6A9 (0.42) NOTUMHSD17B13TRPM8KCNH2
SCHEMBL2402058 0.87 HSD17B13 (0.40) NOTUMHSD17B13TRPM8SLC2A1CCR1
SCHEMBL2220730 0.85 TRPM8 (0.41) HSD17B13TRPM8SLC2A1KCNH2ALDH1A1
SCHEMBL2220054 0.84 NOTUM (0.52) NOTUMTSHRSMN1; SMN2MAPT
SCHEMBL2398017 0.83 HSD17B13 (0.38) NOTUMHSD17B13TRPM8SLC2A1CCR1
SCHEMBL2190259 0.83 NOTUM (0.42) NOTUMTRPM8SMN1; SMN2MAPT
SCHEMBL2401803 0.82 HSD17B13 (0.38) HSD17B13TRPM8SLC2A1CCR1KCNH2
SCHEMBL2396944 0.82 GRIN2B (0.40) HSD17B13TRPM8SLC2A1MAPT
SCHEMBL2186910 0.81 NOTUM (0.43) NOTUMSMN1; SMN2MAPTNPBWR1

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 NOTUM 3691/4885HSD17B13 924/4885TRPM8 1546/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 NOTUM 3951/4885HSD17B13 2192/4885TRPM8 1052/4885

“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.