SCHEMBL7107938

SCHEMBL7107938

COCc1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TXNRD1 Q16881 1/20 0.38
HPGD P15428 3/20 0.37
IDO1 P14902 2/20 0.37
POLB P06746 1/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 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

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
SCHEMBL14228218 0.82 ALDH1A1 (0.45) ALDH1A1TDP1MAPTMAPK1L3MBTL1
SCHEMBL28944504 0.81 MMP1 (0.41) ALDH1A1TDP1MAPTMAPK1MEN1
SCHEMBL27946152 0.81 ALDH1A1 (0.49) ALDH1A1TDP1MAPTMAPK1L3MBTL1
SCHEMBL6655757 0.81 ALDH1A1 (0.60) ALDH1A1TDP1MAPTMAPK1HPGD
SCHEMBL3119986 0.81 HSP90AA1 (0.37) ALDH1A1TDP1MAPTMAPK1L3MBTL1
SCHEMBL27946147 0.80 ALDH1A1 (0.40) ALDH1A1TDP1MAPTL3MBTL1HPGD
SCHEMBL26462910 0.80 TDP1 (0.40) ALDH1A1TDP1MAPTL3MBTL1HPGD
SCHEMBL27578150 0.80 L3MBTL1 (0.42) ALDH1A1TDP1MAPTL3MBTL1HPGD
SCHEMBL3126188 0.80 MMP1 (0.42) ALDH1A1MAPTMAPK1L3MBTL1HPGD
SCHEMBL69094 0.79 TSHR (0.53) ALDH1A1TDP1MAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2754651-B1 NITROBENZENE COMPOUND MANUFACTURING METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2017-12-06 EP disclosed
US-9006477-B2 Method for producing nitrobenzene compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-04-14 US disclosed
US-20140163256-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-06-12 US disclosed
EP-1361218-A1 Trifluoromethanesulfonyl anilide derivatives, process for the preparation of them and herbicides containing them as the active ingredient IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2003-11-12 EP disclosed
EP-1101760-B1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM AND HERBICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT IHARA CHEMICAL IND CO (JP) 2003-10-15 EP disclosed
US-6458748-B1 COMPOUND WHICH IS EFFECTIVE FOR THE REMOVAL OF A WIDE VARIETY OF WEEDS INCLUDING DIFFICULT-TO-CONTROL WEEDS EMERGING IN PADDY FIELD AND WHICH IS SAFE TO MAMMALS; A PROCESS FOR PRODUCTION THEREOF; A HERBICIDE CONTAINING THE COMPOUND AS AN IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-01 US disclosed
EP-1101760-A1 DI- OR TRI-FLUOROMETHANESULFONYL ANILIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM AND HERBICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-05-23 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 (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-20140163256-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND NOX1, NOS2, CYB5R3 ALDH1A1 548/4885TDP1 2123/4885MAPT 4422/4885

“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.