SCHEMBL6783336

SCHEMBL6783336

O=C(Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 7/20 0.56
GAA P10253 6/20 0.56
KMT2A Q03164 4/20 0.56
HPGD P15428 4/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 2/20 0.53
AURKA O14965 1/20 0.47
VNN1 O95497 2/20 0.44
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GLA P06280 3/20 0.41
RCE1 Q9Y256 1/20 0.41
PRMT5 O14744 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CTNNB1 P35222 1/20 0.40

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
SCHEMBL6790901 0.85 KDM4E (0.56) KDM4EALDH1A1GAAKMT2AHPGD
Trifluoromethanesulfonic Acid SCHEMBL1111035 0.84 KDM4E (0.51) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL6785609 0.82 ALDH1A1 (0.61) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL6783637 0.77 KDM4E (0.70) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL6783544 0.76 KDM4E (0.74) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL29642712 0.76 KDM4E (0.74) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL6781147 0.72 KDM4E (0.94) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL6780670 0.71 KMT2A (0.53) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL6791224 0.70 KMT2A (0.55) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL6780160 0.69 KDM4E (0.58) KDM4EALDH1A1GAAKMT2AHPGD

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 11 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
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

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 KDM4E 4040/4885ALDH1A1 2236/4885GAA 799/4885
US-20020013322-A1 Novel compounds for enhancing chemotherapy ABCB1, ABCB11, ABCC1 KDM4E 4040/4885ALDH1A1 2236/4885GAA 799/4885
US-20030105122-A1 Compounds for enhancing chemotherapy NQO2, MCL1, ABCB1 KDM4E 748/4885ALDH1A1 555/4885GAA 2355/4885

“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.