SCHEMBL330082

SCHEMBL330082

COc1ccc(C(=O)Nc2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 1.00
RAB9A P51151 14/20 1.00
SMN1; SMN2 Q16637 9/20 0.86
TP53 P04637 5/20 0.86
ALOX15 P16050 1/20 0.86
ALDH1A1 P00352 4/20 0.69
KDM4E B2RXH2 3/20 0.69
CYP1A2 P05177 2/20 0.69
KMT2A Q03164 3/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
CYP2C9 P11712 2/20 0.68
MEN1 O00255 2/20 0.68
CYP3A4 P08684 1/20 0.68
GAA P10253 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
TSHR P16473 1/20 0.68
HPGD P15428 2/20 0.67

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
SCHEMBL8970418 1.00 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.93 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL22495349 0.87 RAB9A (0.81) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL11911277 0.87 NPC1 (0.76) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL12228183 0.87 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALOX15

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
CN-119998260-A Process for preparing amides from esters 巴斯夫欧洲公司 2025-05-13 CN disclosed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
US-10442779-B2 Compositions and methods for treating Friedreich's ataxia FRATAGENE THERAPEUTICS S.R.L. (IT) 2019-10-15 US disclosed
WO-2017136943-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2017-08-17 WO disclosed
WO-2016046759-A2 COMPOSITIONS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA FRATAGENE THERAPEUTICS LTD. (IT) 2016-03-31 WO disclosed
EP-2407460-B1 N-TRIAZINYLAMMONIUM SALTS, A METHOD OF PREPARATION AND USES THEREOF POLITECHNIKA LODZKA (PL) 2013-07-17 EP disclosed
US-8420291-B2 Positive photosensitive resin composition, method for forming pattern, electronic component HITACHI CHEMICAL DUPONT MICROSYSTEMS, LTD. (JP) 2013-04-16 US disclosed
US-20120094038-A1 USE OF HUMIDITY STABLE YELLOW FLUORESCENT PIGMENTS IN SECURITY APPLICATIONS HONEYWELL INTERNATIONAL INC. (US) 2012-04-19 US disclosed
EP-2407460-A1 N-Triazinylammonium salts, a method of preparation and uses thereof Politechnika Lódzka (PL) 2012-01-18 EP disclosed
US-20100258336-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING PATTERN, ELECTRONIC COMPONENT HITACHI CHEMICAL DUPONT MICROSYSTEMS, LTD. (JP) 2010-10-14 US disclosed
US-20070141630-A1 IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY GENENTECH, INC. (US) 2007-06-21 US disclosed
US-20070141630-A1 IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY GENENTECH, INC. (US) 2007-06-21 US disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 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-10442779-B2 Compositions and methods for treating Friedreich's ataxia ATXN10, ATXN2, ATXN2L NPC1 2715/4885RAB9A 3063/4885SMN1; SMN2 48/4885

“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.