SCHEMBL6661414

SCHEMBL6661414

COCc1cccc(C(=O)c2nc(OC)cc(OC)n2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL27946142 0.84 HPGD (0.47) HPGDPOLBSMN1; SMN2RAB9AKMT2A
SCHEMBL10180539 0.83 ALDH1A1 (0.33) HPGDPOLBRAB9AKMT2AMEN1
SCHEMBL1720657 0.82 KDM4E (0.41) POLBRAB9AKMT2AMEN1MTNR1A
SCHEMBL4815221 0.78 TSHR (0.51) HPGDPOLBSMN1; SMN2RAB9AKMT2A
SCHEMBL1720572 0.77 CYP1A2 (0.45) SMN1; SMN2KMT2AMEN1MTNR1AMTNR1B
SCHEMBL22524300 0.76 TXNRD1 (0.32) HPGDPOLBMTNR1AMTNR1B
SCHEMBL4819062 0.76 HPGD (0.48) HPGDPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL7111143 0.74 MTNR1A (0.39) MTNR1AMTNR1BLMNA
SCHEMBL7112159 0.72 ALDH1A1 (0.35) HPGDPOLBRAB9AKMT2AMEN1
SCHEMBL13197932 0.72 TP53 (0.34) SMN1; SMN2MTNR1AMTNR1B

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-2674420-B1 METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF IHARA CHEMICAL IND CO (JP) 2016-01-27 EP disclosed
US-20040199002-A1 Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor INDUSTRY CO., LTD. (JP) 2004-10-07 US disclosed
EP-1431278-A1 PROCESS FOR PRODUCING (2-NITROPHENYL)ACETONITRILE DERIVATIVE AND INTERMEDIATE THEREFOR IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2004-06-23 EP 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-20040199002-A1 Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor DOHH, NCEH1, NOTUM HPGD 90/4885POLB 1474/4885SMN1; SMN2 4072/4885

“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.