SCHEMBL2090417

SCHEMBL2090417

CCc1scc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 2/20 0.34
MAPT P10636 2/20 0.34
CCR4 P51679 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTR1B P28222 1/20 0.33
TP53 P04637 1/20 0.32
HPRT1 P00492 1/20 0.32

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
SCHEMBL27629721 0.79 CNR1 (0.44) CNR2CNR1TDP1CYP1A2MAPT
SCHEMBL9572751 0.78 CYP2A6 (0.35) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5842368 0.78 CYP2A6 (0.45) CYP2A6ALDH1A1CNR2TSHRHSD17B10
SCHEMBL2095050 0.78 ALDH1A1 (0.35) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL9572752 0.78 CYP2A6 (0.44) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL27736947 0.78 ALDH1A1 (0.34) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5538538 0.78 CYP2A6 (0.34) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5538547 0.78 CNR1 (0.41) CYP2A6ALDH1A1CNR2CNR1TSHR
SCHEMBL15907898 0.77 MAPT (0.44) CNR2CNR1TSHRMAPTLMNA
SCHEMBL28960595 0.77 MAPT (0.44) CNR2CNR1TSHRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210280870-A1 POSITIVE ELECTRODE ACTIVE MATERIAL FOR MAGNESIUM BATTERIES FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2021-09-09 US disclosed
US-10544183-B2 Uridine nucleoside derivatives, compositions and methods of use TUFTS UNIVERSITY (US) 2020-01-28 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-8940726-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-01-27 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 (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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CYP2A6 3293/4885ALDH1A1 4677/4885CNR2 4409/4885
US-10544183-B2 Uridine nucleoside derivatives, compositions and methods of use P2RY6, UPP1, UMPS CYP2A6 1265/4885ALDH1A1 2982/4885CNR2 332/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP2A6 1153/4885ALDH1A1 412/4885CNR2 327/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 CYP2A6 2460/4885ALDH1A1 4596/4885CNR2 4093/4885

“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.