SCHEMBL6762633

SCHEMBL6762633

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
G6PD P11413 1/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ALDH1A1 P00352 6/20 0.40
HTT P42858 5/20 0.40
POLB P06746 1/20 0.40
GPR35 Q9HC97 1/20 0.39
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.38
VCAM1 P19320 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4614355 0.90 MAPT (0.50) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL1344004 0.80 GPR35 (0.47) MAPTKDM4EALDH1A1GPR35VCAM1
SCHEMBL17241240 0.77 GPR35 (0.44) MAPTMAPK1ALDH1A1HTTPOLB
SCHEMBL6766628 0.77 SQOR (0.48) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL6948276 0.76 MAPT (0.59) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL416580 0.76 MAPT (0.68) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL5038570 0.76 MAPT (0.54) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL30627311 0.75 MAPT (0.47) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL2795410 0.75 MAPT (0.43) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL18395985 0.75 MAPK1 (0.53) MAPTMAPK1MEN1KMT2AKDM4E

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 8 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
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 MAPT 2957/4885MAPK1 1624/4885MEN1 261/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 MAPT 3054/4885MAPK1 1672/4885MEN1 266/4885

“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.