SCHEMBL4077294

SCHEMBL4077294

COc1ccc(C#N)c(I)c1OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
AR P10275 11/20 0.41
PGR P06401 2/20 0.41
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
USP8 P40818 1/20 0.38
USP7 Q93009 1/20 0.38

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
SCHEMBL4696500 0.82 ALDH1A1 (0.55) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL6765648 0.80 AR (0.44) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL24495415 0.79 ALDH1A1 (0.49) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL3272602 0.79 ALDH1A1 (0.49) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL10540003 0.78 ALDH1A1 (0.52) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL23880593 0.78 ALDH1A1 (0.52) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL7365630 0.77 ALDH1A1 (0.50) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL5750458 0.77 ALDH1A1 (0.50) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL6954237 0.77 ALDH1A1 (0.50) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL8039491 0.77 ALDH1A1 (0.59) ALDH1A1IMPDH2IMPDH1KDM4EUSP2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009126785-A METHOD FOR PRODUCING 2-IODO-3,4-DIMETHOXYBENZONITRILE MITSUBISHI GAS CHEM CO INC 2009-06-11 JP disclosed
JP-2009126784-A METHOD FOR PRODUCING 2-IODO-3,4-DIMETHOXYBENZONITRILE MITSUBISHI GAS CHEM CO INC 2009-06-11 JP disclosed
CN-1191249-C Quinoline and quinazoline compound for treating benign prostatic hyperplasia specially PFIZER (US) 2005-03-02 CN disclosed
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-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
US-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 EP disclosed
CN-1403453-A Quinoline and quinazoline compound for treating benign prostatic hyperplasia specially PFIZER (US) 2003-03-19 CN disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 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-1243513-A Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2000-02-02 CN 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 (4 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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN ALDH1A1 498/4885IMPDH2 1684/4885IMPDH1 1000/4885
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B ALDH1A1 514/4885IMPDH2 1555/4885IMPDH1 909/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 ALDH1A1 420/4885IMPDH2 1502/4885IMPDH1 900/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 ALDH1A1 557/4885IMPDH2 1599/4885IMPDH1 924/4885

“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.