SCHEMBL6766628

SCHEMBL6766628

COc1cc(-c2ccccc2)c(C#N)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 4/20 0.48
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
NPSR1 Q6W5P4 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
PAX8 Q06710 1/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ABCB1 P08183 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL6767452 0.83 LMNA (0.40) ALDH1A1TDP1MAPTKMT2ANPSR1
SCHEMBL4614355 0.82 MAPT (0.50) ALDH1A1TDP1MAPTKMT2ANPSR1
SCHEMBL5038000 0.80 ALDH1A1 (0.49) ALDH1A1TDP1MAPTKMT2ANPSR1
SCHEMBL99419 0.80 ALDH1A1 (0.57) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL9312797 0.77 ALDH1A1 (0.56) ALDH1A1TDP1MAPTKMT2AHPGD
SCHEMBL6762633 0.77 MAPT (0.49) ALDH1A1MAPTKMT2ANPSR1KDM4E
SCHEMBL6766626 0.76 ADORA2A (0.55) SQORALDH1A1TDP1MAPTKMT2A
SCHEMBL2417892 0.75 ALDH1A1 (0.68) ALDH1A1TDP1MAPTKMT2AHPGD
SCHEMBL6764895 0.74 ADORA2A (0.46) ALDH1A1TDP1MAPTKMT2AHPGD
SCHEMBL30115292 0.72 ALDH1A1 (0.52) ALDH1A1TDP1MAPTKMT2AKDM4E

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 6 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

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 SQOR 225/4885ALDH1A1 514/4885TDP1 2296/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 SQOR 219/4885ALDH1A1 557/4885TDP1 2350/4885

“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.