SCHEMBL8977186

SCHEMBL8977186

CCc1c(C(=O)O)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CLCN2 P51788 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
FBP1 P09467 1/20 0.38
RORC P51449 1/20 0.38
AKR1B1 P15121 1/20 0.38
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7941828 0.89 TP53 (0.43) ALDH1A1TP53HTTCYP1A2CYP2D6
SCHEMBL10487782 0.88 LMNA (0.43) CLCN2ALDH1A1TP53HTTCYP1A2
SCHEMBL730928 0.88 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11676843 0.85 SMN1; SMN2 (0.44) ALDH1A1TP53HTTCYP1A2CYP2D6
SCHEMBL10487698 0.84 MEN1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10774010 0.83 ALDH1A1 (0.38) ALDH1A1TP53CYP1A2CYP2D6CYP2C19
SCHEMBL10774004 0.83 ALDH1A1 (0.38) ALDH1A1TP53CYP1A2CYP2D6CYP2C19
SCHEMBL10487749 0.83 ALDH1A1 (0.39) ALDH1A1TP53HTTCYP1A2CYP2D6
SCHEMBL10607310 0.82 SMN1; SMN2 (0.45) ALDH1A1TSHRTDP1LMNAPKM
SCHEMBL3127548 0.82 TP53 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 US disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
EP-0517871-B1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LTD (GB) 1996-04-24 EP disclosed
US-5382682-A Nitroanilides and their preparation EASTMAN KODAK COMPANY (US) 1995-01-17 US disclosed
US-5073473-A Compound that releases a nucleating agent or a uv absorber FUJI PHOTO FILM CO., LTD. (JP) 1991-12-17 US disclosed
EP-0206635-B1 PREPARATION OF 3-AMINO-4-HYDROXYBENZOIC ACIDS THE DOW CHEMICAL COMPANY (US) 1989-11-15 EP disclosed
US-4835306-A Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1989-05-30 US disclosed
EP-0206635-A1 Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1986-12-30 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-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS PTGER4, PTGER1, PTGER2 GRIN2D 1808/4885GRIN3B 819/4885GRIN1 1275/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD GRIN2D 1717/4885GRIN3B 2958/4885GRIN1 3122/4885

“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.