SCHEMBL2097683

SCHEMBL2097683

O=C(O)N(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KIF11 P52732 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MTOR P42345 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
SRD5A2 P31213 1/20 0.44
CYP1A1 P04798 1/20 0.44
MAOB P27338 1/20 0.44
CYP1B1 Q16678 1/20 0.44
POLQ O75417 1/20 0.42
ACP3 P15309 1/20 0.42
MAPT P10636 1/20 0.42
HSD11B1 P28845 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2097680 0.87 NPSR1 (0.47) NPSR1ALDH1A1TSHRNPC1RAB9A
SCHEMBL4682247 0.85 MTOR (0.48) MTORMAOB
SCHEMBL29116640 0.85 TACR1 (0.51) NPSR1CES2POLQP2RX1L3MBTL1
SCHEMBL31393782 0.84 NPC1 (0.51) NPSR1ALDH1A1TSHRNPC1RAB9A
SCHEMBL2094545 0.84 MEN1 (0.49) NPSR1ALDH1A1TSHRRAB9ACES2
SCHEMBL28643943 0.81 NPC1 (0.53) ALDH1A1TSHRNPC1RAB9AKIF11
SCHEMBL22946391 0.81 NPC1 (0.47) NPSR1ALDH1A1TSHRNPC1RAB9A
SCHEMBL10671760 0.81 NPSR1 (0.55) NPSR1ALDH1A1TSHRNPC1RAB9A
SCHEMBL19778 0.81 NPSR1 (0.70) NPSR1ALDH1A1TSHRNPC1RAB9A
SCHEMBL4741127 0.81 RAB9A (0.53) NPSR1ALDH1A1NPC1RAB9ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204368-B1 4-sulfonylpiperidine derivatives MSD KK (JP) 2014-05-21 EP disclosed
US-8163898-B2 4-sulfonylpiperidine derivatives MSD K. K. (JP) 2012-04-24 US 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-20100234392-A1 4-SULFONYLPIPERIDINE DERIVATIVES MSD K.K. (JP) 2010-09-16 US disclosed
EP-2204368-A1 4-SULFONYLPIPERIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2010-07-07 EP disclosed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO 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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NPSR1 202/4885ALDH1A1 412/4885TSHR 162/4885
US-20100234392-A1 4-SULFONYLPIPERIDINE DERIVATIVES CHRM2, CHRM1, CHRM3 NPSR1 331/4885ALDH1A1 752/4885TSHR 294/4885

“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.