SCHEMBL6764895

SCHEMBL6764895

COc1cc([N+](=O)[O-])c(C#N)c(-c2ccccc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
ABCB1 P08183 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABCC1 P33527 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL6772390 0.88 ABCB1 (0.42) ABCB1MAPTMEN1GAAKMT2A
SCHEMBL28803657 0.81 ALDH1A1 (0.51) ABCB1MAPTMEN1GAAKMT2A
SCHEMBL6767155 0.78 ADORA2A (0.58) ADORA2AADORA1MAPTALDH1A1HPGD
SCHEMBL5753766 0.77 ALDH1A1 (0.42) ABCB1MAPTMEN1GAAKMT2A
SCHEMBL5754985 0.77 ALDH1A1 (0.42) MAPTMEN1GAAKMT2ABRD4
SCHEMBL424909 0.75 ALDH1A1 (0.49) ABCB1ALDH1A1ABCC1TDP1L3MBTL1
SCHEMBL21071961 0.75 MAPT (0.43) ADORA2AADORA1MAPTGAAALDH1A1
SCHEMBL6766628 0.74 SQOR (0.48) ADORA2AADORA1ABCB1MAPTMEN1
SCHEMBL3794106 0.74 ALDH1A1 (0.53) ABCB1MAPTKMT2AALDH1A1HPGD
SCHEMBL10132579 0.73 ABCB1 (0.50) ABCB1ALDH1A1ABCC1TDP1L3MBTL1

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-6750214-B2 PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COLLIS ALAN JOHN (US) 2004-06-15 US disclosed
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC. 2003-11-27 US disclosed
US-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 US disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 US disclosed
US-6103738-A Quinoline and quinazoline compounds useful in therapy PFIZER INC. (US) 2000-08-15 US disclosed
EP-0877734-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RES & DEV (IE) 2000-07-12 EP disclosed
CN-1205693-A Quinoline and quinazoline compounds useful in therapy PFIZER RES & DEV (IE) 1999-01-20 CN disclosed
EP-0877734-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Research and Development Company, N.V./S.A. (IE) 1998-11-18 EP disclosed
WO-1997023462-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-07-03 WO 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-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B ADORA2A 3833/4885ADORA1 1610/4885ABCB1 594/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 ADORA2A 3856/4885ADORA1 1512/4885ABCB1 539/4885

“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.