SCHEMBL2162184

SCHEMBL2162184

O=[N+]([O-])c1ccc(-n2ccc(C(F)(F)F)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
PTGS1 P23219 1/20 0.51
NPC1 O15118 5/20 0.50
MAPT P10636 5/20 0.50
RAB9A P51151 4/20 0.50
PTGS2 P35354 1/20 0.48
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
PAX8 Q06710 1/20 0.45
AR P10275 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 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
SCHEMBL28354521 0.84 HTT (0.65) HTTPTGS1NPC1MAPTRAB9A
SCHEMBL8739541 0.81 POLB (0.43) HTTPTGS1NPC1MAPTRAB9A
SCHEMBL30276683 0.80 MAPT (0.47) HTTNPC1MAPTRAB9APOLB
SCHEMBL29399915 0.80 MAPT (0.51) HTTPTGS1MAPTPOLBNPSR1
SCHEMBL2633107 0.79 ALDH1A1 (0.46) HTTPTGS1NPC1MAPTRAB9A
SCHEMBL1836548 0.77 HPGD (0.47) HTTPTGS1NPC1MAPTRAB9A
SCHEMBL3480556 0.77 MAPT (0.44) HTTPTGS1NPC1MAPTRAB9A
SCHEMBL9369399 0.77 HTT (0.68) HTTNPC1MAPTRAB9APTGS2
SCHEMBL21023945 0.76 NPC1 (0.54) HTTPTGS1NPC1MAPTRAB9A
SCHEMBL30999699 0.76 NPC1 (0.54) HTTNPC1MAPTRAB9APOLB

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
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 EP disclosed
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 EP disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 WO disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 WO disclosed
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 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 (1 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 HTT 3414/4885PTGS1 3240/4885NPC1 2992/4885

“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.