SCHEMBL3247322

SCHEMBL3247322

CCn1nc(CC(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 11/20 0.57
MAPT P10636 2/20 0.53
PTGDR2 Q9Y5Y4 4/20 0.49
KMO O15229 1/20 0.47
MAPK8 P45983 2/20 0.45

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
SCHEMBL11753420 0.83 AKR1B1 (0.54) AKR1B1MAPTPTGDR2
SCHEMBL9323969 0.83 AKR1B1 (0.51) AKR1B1PTGDR2KMOMAPK8
SCHEMBL20769718 0.80 AKR1B1 (0.62) AKR1B1PTGDR2
SCHEMBL10533803 0.80 MAPT (0.71) AKR1B1MAPT
SCHEMBL9321434 0.76 AKR1B1 (0.67) AKR1B1PTGDR2
SCHEMBL9322563 0.75 AKR1B1 (0.66) AKR1B1
SCHEMBL12984735 0.74 KMO (0.52) AKR1B1PTGDR2KMOMAPK8
SCHEMBL24182151 0.74 ADORA2A (0.62) MAPTKMOMAPK8
SCHEMBL9322351 0.74 AKR1B1 (1.00) AKR1B1
SCHEMBL9323846 0.74 AKR1B1 (1.00) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4008070-A ALKYL 5-HALO-1H-INDAZOLE-3-ACETATE NISSAN CHEMICAL INDUSTRIES CO., LTD. (JA) 1977-02-15 US claimed
US-20100234226-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
WO-2010017926-A2 HERBICIDAL COMBINATION COMPRISING DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 WO disclosed
US-5330997-A 1H-indazole-3-acetic acids as aldose reductase inhibitors PFIZER INC. (US) 1994-07-19 US disclosed
US-5236945-A 1H-indazole-3-acetic acids as aldose reductase inhibitors PFIZER INC. (US) 1993-08-17 US disclosed
EP-0325375-B1 1H-INDAZOLE-3-ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1992-08-12 EP disclosed
WO-1989006651-A1 1H-INDAZOLE-3-ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1989-07-27 WO disclosed
EP-0325375-A1 1H-indazole-3-acetic acids as aldose reductase inhibitors PFIZER INC. (US) 1989-07-26 EP disclosed
US-4008070-A ALKYL 5-HALO-1H-INDAZOLE-3-ACETATE NISSAN CHEMICAL INDUSTRIES CO., LTD. (JA) 1977-02-15 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 (1 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-20100234226-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DDT, CBR3, AS3MT AKR1B1 497/4885MAPT 4433/4885PTGDR2 2312/4885

“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.