SCHEMBL2095103

SCHEMBL2095103

Cc1cccc(N(C)C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.46
HSD17B2 P37059 5/20 0.46
ACHE P22303 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
RECQL P46063 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL10012179 0.81 ACHE (0.46) HSD17B1HSD17B2ACHESIGMAR1RECQL
SCHEMBL28308085 0.81 ACHE (0.39) ACHESIGMAR1RECQLCYP3A4TDP1
SCHEMBL7541402 0.79 TDP1 (0.47) HSD17B1HSD17B2ACHESIGMAR1CYP3A4
SCHEMBL2584789 0.79 ACHE (0.44) HSD17B1HSD17B2ACHESIGMAR1CYP3A4
M-Xylene SCHEMBL29191897 0.78 ACHE (0.60) ACHETDP1NPC1RAB9AALDH1A1
SCHEMBL4645028 0.78 ERN1 (0.34) CYP3A4TDP1ALDH1A1
SCHEMBL2967403 0.78 ACHE (0.42) HSD17B1HSD17B2ACHESIGMAR1RECQL
SCHEMBL7370235 0.78 CYP3A4 (0.42) SIGMAR1RECQLCYP3A4TDP1ALDH1A1
SCHEMBL3926709 0.78 ALDH1A1 (0.45) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2088529 0.78 HTR3E (0.49) HSD17B1HSD17B2TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143645-A Industrial method for synthesizing tolnaftate by one-pot method 内蒙古幸源新材料科技有限公司 2024-12-17 CN disclosed
WO-2021188948-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-10918627-B2 Convergent and enantioselective total synthesis of Communesin analogs MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-02-16 US disclosed
CN-108774147-B N-aryl formamide prepared by taking bromodifluoroacetic acid ethyl ester as formylation reagent 温州大学 2021-01-08 CN disclosed
CN-108774147-A A kind of N- aryl carboxamides prepared as formylation reagent using bromo difluoro acetate ethyl ester 温州大学 2018-11-09 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20090215851-A1 Method of Preparing a Porphyrin Derivative, a Porphyrin Derivative, Use of Said Porphyrin derivative and a pharmaceutical composition containing said porphyrin derivative PHOTOBIOCHEM N.V. (NL) 2009-08-27 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1866309-A1 A METHOD OF PREPARING A PORPHYRIN DERIVATIVE, A PORPHYRIN DERIVATIVE, USE OF SAID PORPHYRIN Photobiochem N.V. (NL) 2007-12-19 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2006096053-A1 A METHOD OF PREPARING A PORPHYRIN DERIVATIVE, A PORPHYRIN DERIVATIVE, USE OF SAID PORPHYRIN PHOTOBIOCHEM N.V. (NL) 2006-09-14 WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 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 (4 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-20090215851-A1 Method of Preparing a Porphyrin Derivative, a Porphyrin Derivative, Use of Said Porphyrin derivative and a pharmaceutical composition containing said porphyrin derivative CYP3A43, CYP3A4, ALAD HSD17B1 2928/4885HSD17B2 2696/4885ACHE 1496/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HSD17B1 225/4885HSD17B2 237/4885ACHE 4670/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HSD17B1 384/4885HSD17B2 314/4885ACHE 4734/4885
US-10918627-B2 Convergent and enantioselective total synthesis of Communesin analogs CRHR1, NTSR1, CRH HSD17B1 3171/4885HSD17B2 3657/4885ACHE 4152/4885

“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.