SCHEMBL2243695

SCHEMBL2243695

Clc1nc2ccccc2nc1Nc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
EPHX2 P34913 1/20 0.50
FADS1 O60427 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CDC25B P30305 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EGFR P00533 2/20 0.46
CCR4 P51679 1/20 0.45

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
SCHEMBL18796286 0.81 PDE5A (0.54) KDM4EALDH1A1HSD17B10TSHRNPSR1
SCHEMBL13632692 0.80 KDM4E (0.50) KDM4EEPHX2FADS1ALDH1A1HPGD
SCHEMBL1792209 0.74 CDC25A (0.63) KDM4EALDH1A1HSD17B10TP53CDC25B
SCHEMBL49213 0.73 HSD17B10 (0.74) KDM4EEPHX2FADS1ALDH1A1HPGD
SCHEMBL18323559 0.73 TDP1 (0.54) KDM4EALDH1A1NPSR1SMN1; SMN2TDP1
SCHEMBL1790960 0.72 RECQL (0.64) KDM4EALDH1A1HPGDHSD17B10CDC25B
SCHEMBL29740496 0.72 EGFR (0.58) KDM4EEPHX2FADS1ALDH1A1HPGD
SCHEMBL28490684 0.72 EGFR (0.58) KDM4EEPHX2FADS1ALDH1A1HPGD
SCHEMBL15673424 0.72 KDM1A (0.66) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL8500339 0.71 HSD17B10 (0.71) KDM4EEPHX2FADS1ALDH1A1HPGD

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-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 US disclosed
US-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERISTY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-08-04 US disclosed
US-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERISTY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-08-04 US disclosed
WO-2009139886-A2 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-19 WO disclosed
WO-2009139886-A2 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-19 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-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 KDM4E 1602/4885EPHX2 2856/4885FADS1 2046/4885
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 KDM4E 1586/4885EPHX2 2888/4885FADS1 2010/4885

“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.