SCHEMBL12439147

SCHEMBL12439147

Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2cc3cc[nH]c3cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
RAB9A P51151 2/20 0.44
ATP4A P20648 9/20 0.42
ATP4B P51164 9/20 0.42
ATP1A1 P05023 8/20 0.42
ATP1B1 P05026 8/20 0.42
ATP1A3 P13637 8/20 0.42
ATP1B2 P14415 8/20 0.42
ATP1A2 P50993 8/20 0.42
ATP1B3 P54709 8/20 0.42
FXYD2 P54710 8/20 0.42
ATP1A4 Q13733 8/20 0.42
WDR5 P61964 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42

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
SCHEMBL14648572 0.89 S1PR1 (0.32) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL14649766 0.86 NPC1 (0.44) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL26639261 0.85 CYP2C9 (0.48) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL26765301 0.85 NPC1 (0.48) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6872754 0.84 CYP2C9 (0.48) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6872759 0.84 NPC1 (0.48) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL2623644 0.84 CYP2C9 (0.48) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL7618399 0.83 NPC1 (0.47) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5661872 0.83 CYP2C9 (0.47) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL29350399 0.83 NPC1 (0.47) CYP2C9NPC1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532665-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XUANZHU PHARMA CO LTD (CN) 2016-09-07 EP disclosed
US-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
US-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 US disclosed
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses Xuanzhu Pharma Co., Ltd. (CN) 2013-01-24 US disclosed
EP-2532665-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2012-12-12 EP disclosed
WO-2011095057-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-08-11 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 (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-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES F12, HRH2, H1-3 CYP2C9 94/4885NPC1 2804/4885CYP1A2 311/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 CYP2C9 94/4885NPC1 2804/4885CYP1A2 311/4885

“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.