SCHEMBL3124284

SCHEMBL3124284

CCN(C)c1nc(N)c(C(=O)Nc2cnccc2C)nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
TP53 P04637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GRM5 P41594 2/20 0.47
ATR Q13535 5/20 0.44
GSK3B P49841 3/20 0.41
CNR1 P21554 1/20 0.39
SLC9A5 Q14940 4/20 0.39
PLAU P00749 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL2432097 0.94 HDAC6 (0.49) HDAC6TP53KDM4EALDH1A1HPGD
SCHEMBL12288568 0.91 HDAC6 (0.55) HDAC6TP53KDM4EALDH1A1HPGD
SCHEMBL12288501 0.89 TP53 (0.52) HDAC6TP53KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL2431358 0.88 TP53 (0.52) HDAC6TP53KDM4EALDH1A1HPGD
SCHEMBL12288566 0.87 HDAC6 (0.52) HDAC6TP53KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL2434092 0.85 HDAC6 (0.50) HDAC6TP53KDM4EALDH1A1HPGD
SCHEMBL12288580 0.84 HDAC6 (0.55) HDAC6TP53KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL2430086 0.83 HDAC6 (0.48) HDAC6TP53KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL2432623 0.80 HDAC6 (0.51) HDAC6TP53KDM4EALDH1A1HPGD
SCHEMBL12288578 0.76 ATR (0.46) HDAC6TP53KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010041266-A1 A BIOFUEL COMPOSITION, PROCESS OF PREPARATION AND A METHOD OF FUELING THEREOF BIGTEC PRIVATE LIMITED (IN) 2010-04-15 WO claimed
WO-2010039195-A2 SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-04-08 WO claimed
WO-1989004735-A1 PROCESS OF PREPARING SINTERED SHAPES CONTAINING REINFORCEMENT CERAMICS PROCESS SYSTEMS CORPORATION (US) 1989-06-01 WO claimed
US-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 US disclosed
US-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 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 (1 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-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NSF, HAVCR2, ABHD16A HDAC6 1395/4885TP53 1782/4885KDM4E 3652/4885

“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.