SCHEMBL2220730

SCHEMBL2220730

O=C(c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1)N(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B13 Q7Z5P4 1/20 0.40
SLC2A1 P11166 1/20 0.39
PDK1 Q15118 1/20 0.39
PTGES O14684 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KCNH2 Q12809 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL2402058 0.93 HSD17B13 (0.40) TRPM8KMT2AHSD17B13SLC2A1PTGES
SCHEMBL2396944 0.90 GRIN2B (0.40) TRPM8MEN1KMT2AHSD17B13SLC2A1
SCHEMBL2401803 0.89 HSD17B13 (0.38) TRPM8HSD17B13SLC2A1PDK1PTGES
SCHEMBL2398017 0.89 HSD17B13 (0.38) TRPM8HSD17B13SLC2A1PTGESALDH1A1
SCHEMBL2398352 0.88 TACR1 (0.42) TRPM8HSD17B13PDK1ALDH1A1KCNH2
SCHEMBL2399391 0.86 SLC6A9 (0.44) TRPM8HSD17B13KCNH2
SCHEMBL2399003 0.85 CYP2C19 (0.48) HSD17B13
SCHEMBL2397910 0.85 NOTUM (0.39) TRPM8HSD17B13SLC2A1ALDH1A1KCNH2
SCHEMBL2214597 0.85 NR1H4 (0.39) MEN1KMT2AHSD17B13PTGES
SCHEMBL2218692 0.82 HDAC1 (0.42) MEN1KMT2AHSD17B13KDM4E

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 9 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
EP-2341776-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-07-13 EP claimed
WO-2010033626-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-03-25 WO 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 TRPM8 1546/4885MEN1 2895/4885KMT2A 4715/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 TRPM8 1052/4885MEN1 2606/4885KMT2A 4709/4885

“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.