SCHEMBL2884065

SCHEMBL2884065

Cc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KCNMA1 Q12791 3/20 0.56
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 1/20 0.52
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.51
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL29451808 0.88 PDK1 (0.50) ALDH1A1KCNMA1MAPTPDK1PDK2
SCHEMBL14376787 0.84 KCNMA1 (0.58) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL27677695 0.84 KCNMA1 (0.53) ALDH1A1KCNMA1NPC1RAB9AMAPT
SCHEMBL1704376 0.83 ALDH1A1 (0.71) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL11591034 0.83 ALDH1A1 (0.67) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL29764433 0.82 KCNMA1 (0.47) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL22262383 0.82 KCNMA1 (0.63) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL12350643 0.82 MAPK1 (0.53) ALDH1A1KCNMA1NPC1RAB9AGAA
SCHEMBL29659895 0.82 KCNMA1 (0.63) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL2554351 0.82 RECQL (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 WO disclosed
US-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-07-16 US disclosed
US-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-07-16 US disclosed
WO-2012178208-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY (US) 2012-12-27 WO disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 ALDH1A1 1351/4885KCNMA1 524/4885NPC1 1221/4885
US-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF HDAC6, HDAC5, HDAC1 ALDH1A1 1381/4885KCNMA1 2788/4885NPC1 3334/4885

“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.