SCHEMBL979436

SCHEMBL979436

O=S(=O)(Nc1nc2ccccc2n1CC(F)(F)F)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HKDC1 Q2TB90 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1707588 0.79 KDM4E (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL978793 0.79 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL977464 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL977739 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL1704857 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3448552 0.69 S1PR1 (0.77) CYP2D6CYP2C19S1PR1
SCHEMBL31325564 0.69 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL1707586 0.68 HTT (0.62) KMT2ACYP2D6HTTTP53POLB
SCHEMBL13071432 0.68 CYP2C9 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL979423 0.68 HTT (0.62) KMT2ACYP2D6HTTTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636345-B2 Benzimidazole derivatives useful TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 US disclosed
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-04 US disclosed
US-8981113-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2015-03-17 US disclosed
US-20130245085-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US disclosed
EP-2440294-B1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-07-24 EP disclosed
EP-2440295-B1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-07-24 EP disclosed
US-8450497-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US disclosed
US-8242157-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
EP-2440294-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-04-18 EP disclosed
EP-2440295-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-04-18 EP disclosed
US-20110003801-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-06 US disclosed
US-20110003800-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-06 US disclosed
WO-2010144679-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 WO disclosed
WO-2010144680-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 WO 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 (4 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-20110003800-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 ALDH1A1 1798/4885MEN1 657/4885KMT2A 1701/4885
US-20130245085-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 ALDH1A1 1798/4885MEN1 657/4885KMT2A 1701/4885
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 ALDH1A1 2178/4885MEN1 670/4885KMT2A 1616/4885
US-20110003801-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 ALDH1A1 1798/4885MEN1 657/4885KMT2A 1701/4885

“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.