SCHEMBL2113066

SCHEMBL2113066

Cc1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1C(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 4/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CAPN9 O14815 1/20 0.56
CASP3 P42574 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
MITF O75030 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 3/20 0.51
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
EGFR P00533 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL13437129 0.91 MAPT (0.57) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL4887657 0.83 MAPT (0.80) ALDH1A1POLBMAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL23835580 0.82 MAPT (0.78) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL30181459 0.82 MAPT (0.78) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9099835 0.81 CAPN9 (0.45) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5918374 0.79 MITF (0.63) ALDH1A1POLBMAPTSMN1; SMN2HTT
SCHEMBL25666653 0.79 ALDH1A1 (0.57) ALDH1A1POLBMAPTSMN1; SMN2HTT
SCHEMBL15679897 0.78 ALDH1A1 (0.46) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL14959221 0.78 MAPT (0.56) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL23242549 0.77 MAPT (0.56) ALDH1A1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
US-5571806-A Dibenz[b,f][1,4]oxazepin(and thiazepin)-11(10H)-ones and-thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-11-05 US disclosed
EP-0419861-B1 Use of dibenz[b,f][1,4]oxazepin (and thiazepin)-11(10H)-ones and -thiones in the preparation of a pharmaceutical composition for the prevention or treatment of aids BOEHRINGER INGELHEIM PHARMA (US) 1995-11-02 EP disclosed
EP-0419861-A2 Use of dibenz[b,f][1,4]oxazepin (and thiazepin)-11(10H)-ones and -thiones in the preparation of a pharmaceutical composition for the prevention or treatment of aids BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-04-03 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-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME GPR119, CYP11B1, HSD11B1 ALDH1A1 1503/4885POLB 4766/4885MAPT 4246/4885

“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.