SCHEMBL3673681

SCHEMBL3673681

O=C1C=CC(O)(c2cnc3ccccc3c2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 4/20 0.39
KDR P35968 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FASN P49327 1/20 0.37
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
MAP4K4 O95819 1/20 0.37
CSNK1G2 P78368 1/20 0.37

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
SCHEMBL13508820 0.78 CYP1A2 (0.41) MGAMCYP1A2ALDH1A1RAB9AKDM4E
SCHEMBL3676048 0.76 SLC6A4 (0.39) CYP1A2KMT2A
SCHEMBL3674004 0.70 POLB (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10083333 0.68 AKR1C3 (0.63) MGAMCYP1A2RAB9AKDRKDM4E
SCHEMBL7203556 0.67 CHRNB2 (0.48) MGAMCYP1A2ALDH1A1RAB9APDGFRB
SCHEMBL28296424 0.66 CYP1A2 (0.47) MGAMCYP1A2ALDH1A1RAB9AKDM4E
SCHEMBL3679701 0.66 MAPT (0.44) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL9326007 0.65 HTR3A (0.54) MGAMCYP1A2FASN
SCHEMBL3674220 0.65 KDM4E (0.46) ALDH1A1RAB9AKDRKDM4ENPC1
Acridine SCHEMBL28040659 0.65 ALDH1A1 (0.71) CYP1A2ALDH1A1RAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
US-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-21 US disclosed
US-7144893-B2 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-05 US disclosed
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-11-04 US disclosed
EP-1404659-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2004-04-07 EP disclosed
WO-2003004479-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-16 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-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents TXNRD3, TXNRD1, TXN MGAM 3678/4885CYP1A2 325/4885ALDH1A1 245/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 MGAM 2518/4885CYP1A2 528/4885ALDH1A1 556/4885

“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.