SCHEMBL9493607

SCHEMBL9493607

Cc1cnc(C#N)c(C)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3173146 0.77 TDP1 (0.38) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL24257818 0.77 TDP1 (0.39) ALDH1A1TDP1MEN1KMT2AGRIN2D
SCHEMBL30632569 0.77 TDP1 (0.39) ALDH1A1TDP1MEN1KMT2AGRIN2D
SCHEMBL27641088 0.77 ALDH1A1 (0.41) ALDH1A1TDP1MEN1KMT2AGRIN2D
SCHEMBL29892635 0.76 ALDH1A1 (0.43) ALDH1A1TDP1MEN1KMT2AGRIN2D
SCHEMBL5216651 0.76 ALDH1A1 (0.43) ALDH1A1TDP1MEN1KMT2AGRIN2D
SCHEMBL29735712 0.74 ALDH1A1 (0.42) ALDH1A1TDP1MEN1KMT2AGRIN2D
SCHEMBL20679540 0.73 ALDH1A1 (0.37) ALDH1A1TDP1MAPTKDM4ETSHR
SCHEMBL13480742 0.73 CCR1 (0.38) ALDH1A1KDM4ETSHRPOLB
SCHEMBL8194928 0.73 ALDH1A1 (0.41) ALDH1A1TDP1MEN1KMT2AGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3215472-A None JP disclosed
US-10005721-B2 Dimethylbenzoic acid compounds ELI LILLY AND COMPANY (US) 2018-06-26 US disclosed
US-10005721-B2 Dimethylbenzoic acid compounds ELI LILLY AND COMPANY (US) 2018-06-26 US disclosed
CN-105793236-B Dimethylbenzoic acid compound 伊莱利利公司 2017-10-10 CN disclosed
EP-3083554-A1 DIMETHYLBENZOIC ACID COMPOUNDS Eli Lilly & Company (US) 2016-10-26 EP disclosed
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY 2016-09-01 US disclosed
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY 2016-09-01 US disclosed
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY 2016-09-01 US disclosed
CN-105793236-A Dimethylbenzoic acid compound 伊莱利利公司 2016-07-20 CN disclosed
WO-2015094912-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY (US) 2015-06-25 WO disclosed
EP-0369208-B1 PROCESS FOR THE PREPARATION OF 3,5-DIMETHYL-4-METHOXY PYRIDINE DERIVATIVES, AND INTERMEDIATE THEREFOR Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-03-17 EP disclosed
US-5066810-A 3,5-DIMETHYL-4-METHOXYPYRIDINE DERIVATIVES CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-11-19 US disclosed
JP-H03215472-A NOVEL 4-SUBSTITUTED-3,5-DIMETHYLPICOLINIC ACID COMPOUND AND ITS PRODUCTION TOKYO TANABE CO LTD 1991-09-20 JP disclosed
EP-0369208-A1 Process for the preparation of 3,5-dimethyl-4-methoxy pyridine derivatives, and intermediate therefor Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-05-23 EP 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-10005721-B2 Dimethylbenzoic acid compounds PTGER4, EDNRB, EPB41 ALDH1A1 272/4885TDP1 4081/4885MEN1 2770/4885
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS PTGER4, EDNRB, EPB41 ALDH1A1 272/4885TDP1 4081/4885MEN1 2770/4885

“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.