SCHEMBL894066

SCHEMBL894066

CCCCCN(C(=O)O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
PAX8 Q06710 2/20 0.69
JAK2 O60674 1/20 0.69
TP53 P04637 3/20 0.56
ALDH1A1 P00352 5/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
TACR1 P25103 1/20 0.50
GPX4 P36969 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ADRB2 P07550 1/20 0.48

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
SCHEMBL7995028 0.98 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53
SCHEMBL8032558 0.98 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53
SCHEMBL5509984 0.98 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53
SCHEMBL7469093 0.98 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53
SCHEMBL2892022 0.94 NPC1 (0.61) NPC1RAB9APAX8JAK2TP53
SCHEMBL5154776 0.90 ADRA2C (0.55) NPC1RAB9APAX8JAK2TP53
SCHEMBL10960951 0.89 NPC1 (0.69) NPC1RAB9APAX8JAK2TP53
SCHEMBL17473048 0.88 NPC1 (0.57) NPC1RAB9APAX8JAK2TP53
SCHEMBL30957362 0.88 NPC1 (0.57) NPC1RAB9APAX8JAK2TP53
SCHEMBL10960608 0.87 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0097564-B1 PROCESS FOR THE HYDROXYLATION OF PHENOL AND ANILINE DERIVATIVES BY HYDROGEN PEROXIDE IN A SUPERACIDIC MEDIUM ELF ATOCHEM S.A. (FR) 1985-11-13 EP claimed
JP-62185004-A None JP disclosed
JP-8225415-A None JP disclosed
JP-55081803-A None JP disclosed
JP-55081802-A None JP disclosed
EP-2132987-B1 NEMATICIDAL AGENT COMPOSITION AND METHOD OF USING THE SAME NIHON NOHYAKU CO LTD (JP) 2016-04-06 EP disclosed
EP-2361503-B1 N-2-(hetero)arylethylcarboxamide derivative, and pest-controlling agent comprising the same NIHON NOHYAKU CO LTD (JP) 2015-05-27 EP disclosed
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US disclosed
US-8648101-B2 Nematicidal agent composition and method of using the same NIHON NOHYAKU CO., LTD. (JP) 2014-02-11 US disclosed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
JP-S62185004-A INSECTICIDAL COMPOSITION FOR LISSORHOPTRUS ORYZOPHILUS YASHIMA CHEM IND CO LTD 1987-08-13 JP disclosed
EP-0103114-B1 THIENOPYRIDINE DERIVATIVES, THEIR PREPARATION AND INSECTICIDAL AND ACARICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1986-11-12 EP disclosed
EP-0043035-B1 PRESERVATIVE FOR WOOD AND WOODEN ARTICLES Desowag-Bayer Holzschutz GmbH. (DE) 1984-02-15 EP disclosed
EP-0043035-A1 Preservative for wood and wooden articles Desowag-Bayer Holzschutz GmbH. (DE) 1982-01-06 EP disclosed
EP-0008606-B1 AGENT FOR PRESERVING WOOD AND WOODEN MATERIAL DEUTSCHE SOLVAY-WERKE GMBH (DE) 1981-04-29 EP disclosed
JP-S5581802-A REPELLENT WITH DURABILITY IDEMITSU KOSAN CO LTD 1980-06-20 JP disclosed
JP-S5581803-A REPELLENT WITH DURABILITY IDEMITSU KOSAN CO LTD 1980-06-20 JP disclosed
EP-0008606-A1 Agent for preserving wood and wooden material DEUTSCHE SOLVAY-WERKE GMBH (DE) 1980-03-19 EP disclosed
US-4035488-A Insecticidal and acaricidal substituted phenyl thiophosphoric acid esters CIBA-GEIGY CORPORATION (US) 1977-07-12 US disclosed
US-3948940-A Pesticidal phthalimido phosphorous ester compounds CIBA-GEIGY CORPORATION (US) 1976-04-06 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-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR NPC1 913/4885RAB9A 4006/4885PAX8 4857/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR NPC1 913/4885RAB9A 4006/4885PAX8 4857/4885

“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.