SCHEMBL487063

SCHEMBL487063

Cc1cc(S)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ TSHR P16473 8/20 0.42
▸ GRIN2D O15399 2/20 0.38
▸ GRIN3B O60391 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2A Q12879 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ GRIN2C Q14957 2/20 0.38
▸ GRIN3A Q8TCU5 2/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL1820951 0.80 ALDH1A1 (0.58) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL9315890 0.80 TSHR (0.49) ALDH1A1TDP1TSHRCYP3A4HSD17B10
SCHEMBL8440730 0.78 TSHR (0.58) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL28420852 0.77 ALDH1A1 (0.54) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL3781263 0.76 TSHR (0.60) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL487041 0.76 ALDH1A1 (0.54) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL2493668 0.76 ALDH1A1 (0.54) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL11323444 0.76 ALDH1A1 (0.54) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL487510 0.76 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL540061 0.76 ALDH1A1 (0.54) ALDH1A1TDP1TSHRGRIN2DGRIN3B

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-102391203-A Intermediate of 6-substituted-1-methyl-1-h-benzimidazole derivative and method for producing same SANKYO CO 2012-03-28 — — CN disclosed
US-8106079-B2 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2012-01-31 — — US disclosed
CN-101068770-B Process for producing 6-substituted-1-methyl-1-H-benzimidazole derivative and synthetic intermediate therefor SANKYO CO 2012-01-04 — — CN disclosed
US-7816552-B2 Intermediate of 6-substituted 1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-10-19 — — US disclosed
US-20100234612-A1 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-09-16 — — US disclosed
US-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same SANKYO COMPANY, LIMITED (JP) 2009-01-22 — — US disclosed
CN-101068770-A Process for producing 6-substituted-1-methyl-1-H-benzimidazole derivative and synthetic intermediate therefor SANKYO CO (JP) 2007-11-07 — — CN disclosed
EP-1798216-A1 INTERMEDIATE OF 6-SUBSTITUTED-1-METHYL-1-H-BENZIMIDAZOLE DERIVATIVE AND METHOD FOR PRODUCING SAME Sankyo Company, Limited (JP) 2007-06-20 — — EP disclosed
US-5464912-A Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine THE DOW CHEMICAL COMPANY (US) 1995-11-07 — — US disclosed
EP-0670855-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1995-09-13 — — EP disclosed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 — — US disclosed
WO-1994012555-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1994-06-09 — — WO disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 — — 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-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same AZI2, CYC1, CCNI ALDH1A1 928/4885TDP1 2994/4885TSHR 3836/4885
US-20100234612-A1 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same CYC1, CYP2B6, COX6B1 ALDH1A1 668/4885TDP1 3676/4885TSHR 3351/4885

“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.

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