SCHEMBL12350643

SCHEMBL12350643

O=C(Nc1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
RAB9A P51151 3/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNMA1 Q12791 1/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL27677695 0.84 KCNMA1 (0.53) MAPK1RAB9AABCB1ABCC1PDK1
SCHEMBL14376787 0.84 KCNMA1 (0.58) MAPK1RAB9APDK1PDK2PDK3
SCHEMBL22262383 0.82 KCNMA1 (0.63) MAPK1RAB9APKMAKR1C2AKR1C1
SCHEMBL29659895 0.82 KCNMA1 (0.63) MAPK1RAB9APKMAKR1C2AKR1C1
SCHEMBL2884065 0.82 ALDH1A1 (0.59) MAPK1RAB9APDK1PDK2PDK3
SCHEMBL29764433 0.82 KCNMA1 (0.47) MAPK1RAB9APDK1PDK2PDK3
SCHEMBL1066626 0.81 MAPK1 (0.58) MAPK1RAB9APKMKDM4EABCB1
SCHEMBL1066623 0.81 MAPK1 (0.58) MAPK1RAB9APKMKDM4EABCB1
SCHEMBL12798871 0.81 MEN1 (0.47) MAPK1RAB9APDK1PDK2PDK3
SCHEMBL978546 0.80 MAPT (0.64) MAPK1RAB9APKMKDM4EABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 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-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 MAPK1 1488/4885RAB9A 3985/4885PKM 768/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 MAPK1 1488/4885RAB9A 3985/4885PKM 768/4885

“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.