SCHEMBL6785863

SCHEMBL6785863

COc1cc(CNc2c3c(nc4ccccc24)N(Cc2ccccc2)CC3)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.49
BCHE P06276 4/20 0.48
ACHE P22303 4/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTT P42858 1/20 0.44
APP P05067 1/20 0.43
ACP1 P24666 2/20 0.42
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL6780670 0.81 KMT2A (0.53) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL6791224 0.81 KMT2A (0.55) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL5578324 0.77 KDM4E (0.72) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL6783637 0.75 KDM4E (0.70) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL6780160 0.75 KDM4E (0.58) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL2812960 0.73 CLPP (0.40) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL1110808 0.72 ALDH1A1 (0.73) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL14853050 0.72 KDM4E (0.58) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL6783544 0.72 KDM4E (0.74) KMT2AKDM4EALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL5578330 0.71 KDM4E (0.73) KMT2AKDM4EALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693112-B2 FOR INHIBITING DRUG TRANSPORT FROM TARGET CELLS OR TISSUES IN AN ANIMAL UNDERGOING CHEMOTHERAPY; FOR PREVENTING DRUG RESISTANCE THE PENNSYLVANIA STATE UNIVERSITY 2004-02-17 US claimed
US-20030105122-A1 Compounds for enhancing chemotherapy THE PENN STATE RESEARCH FOUNDATION. 2003-06-05 US claimed
EP-1272479-A2 NOVEL COMPOUNDS FOR ENHANCING CHEMOTHERAPY THE PENN STATE RESEARCH FOUNDATION (US) 2003-01-08 EP claimed
US-20020013322-A1 Novel compounds for enhancing chemotherapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-31 US claimed
WO-2001074790-A2 NOVEL COMPOUNDS FOR ENHANCING CHEMOTHERAPY THE PENN STATE RESEARCH FOUNDATION (US) 2001-10-11 WO claimed
US-6815442-B2 A PHENOXY-ALKYL-QUINOXALINONE DERIVATIVES FOR INHIBITING DRUG TRANSPORT PROTEINS THAT EFFLUX THERAPEUTIC AGENTS FROM CELLS; SYNERGISTIC THE PENN STATE RESEARCH FOUNDATION 2004-11-09 US disclosed
US-6693112-B2 FOR INHIBITING DRUG TRANSPORT FROM TARGET CELLS OR TISSUES IN AN ANIMAL UNDERGOING CHEMOTHERAPY; FOR PREVENTING DRUG RESISTANCE THE PENNSYLVANIA STATE UNIVERSITY 2004-02-17 US disclosed
US-20030203910-A1 Novel compounds for enhancing chemotherapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-30 US disclosed
US-20030105122-A1 Compounds for enhancing chemotherapy THE PENN STATE RESEARCH FOUNDATION. 2003-06-05 US disclosed
US-6537993-B2 Compounds for enhancing chemotherapy PENN STATE RESEARCH FOUNDATION 2003-03-25 US disclosed
EP-1272479-A2 NOVEL COMPOUNDS FOR ENHANCING CHEMOTHERAPY THE PENN STATE RESEARCH FOUNDATION (US) 2003-01-08 EP disclosed
US-20020013322-A1 Novel compounds for enhancing chemotherapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-31 US disclosed
WO-2001074790-A2 NOVEL COMPOUNDS FOR ENHANCING CHEMOTHERAPY THE PENN STATE RESEARCH FOUNDATION (US) 2001-10-11 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 (3 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-20030203910-A1 Novel compounds for enhancing chemotherapy ABCB1, ABCB11, ABCC1 KMT2A 4389/4885KDM4E 4040/4885ALDH1A1 2236/4885
US-20020013322-A1 Novel compounds for enhancing chemotherapy ABCB1, ABCB11, ABCC1 KMT2A 4389/4885KDM4E 4040/4885ALDH1A1 2236/4885
US-20030105122-A1 Compounds for enhancing chemotherapy NQO2, MCL1, ABCB1 KMT2A 769/4885KDM4E 748/4885ALDH1A1 555/4885

“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.