SCHEMBL2911255

SCHEMBL2911255

COc1cc([N+](=O)[O-])c(C=O)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
PRKDC P78527 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49

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
SCHEMBL5583299 0.87 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL3398845 0.87 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL16689310 0.86 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7016993 0.86 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL9348382 0.80 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL1318577 0.80 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL1447403 0.78 TUBB4A (0.61) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL31337893 0.78 TUBB4A (0.61) ALDH1A1MAPTKDM4ECYP3A4ALOX15
Ethylene SCHEMBL10751755 0.78 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL3842938 0.77 ERN1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
CN-1817863-A 3-substituted 1,2,3.4-tetrahydro-quinazine derivative, its synthesis and use SHANGHAI PHARMACEUTICAL INST C (CN) 2006-08-16 CN disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 US disclosed
US-5296602-A Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-03-22 US disclosed
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO disclosed
CN-1016175-B Imidazoquinoline antithrombin cardiotonic agents BRISTOL MYERS CO (US) 1992-04-08 CN disclosed
US-4668686-A 1,3-DIHYDRO-2H-IMIDAZO/4,5-B/QUINOLINE-2-ONES BRISTOL-MYERS COMPANY (US) 1987-05-26 US disclosed
CN-86102747-A The preparation method of imidazoquinoline antithombogehic cardiotonic agents 1987-02-04 CN 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 ALDH1A1 468/4885MAPT 4342/4885KDM4E 2052/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 ALDH1A1 468/4885MAPT 4342/4885KDM4E 2052/4885

“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.