SCHEMBL12288494

SCHEMBL12288494

CC(C)CN(C)c1nc(N)c(C(=O)Nc2ccncc2)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
GMNN O75496 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
SLC9A1 P19634 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55

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
Hydrochloric Acid SCHEMBL2430995 0.99 TP53 (0.57) TP53KMT2AMEN1GMNNCYP1A2
SCHEMBL2437669 0.90 TP53 (0.57) TP53KMT2AMEN1GMNNCYP1A2
SCHEMBL12288492 0.88 HDAC6 (0.76) TP53KMT2AMEN1GMNNCYP1A2
Hydrochloric Acid SCHEMBL2435537 0.87 TP53 (0.76) TP53KMT2AMEN1GMNNCYP1A2
SCHEMBL12288546 0.85 TP53 (0.54) TP53KMT2AMEN1GMNNCYP1A2
SCHEMBL12288501 0.85 TP53 (0.52) TP53KMT2AMEN1GMNNCYP1A2
Hydrochloric Acid SCHEMBL2431358 0.84 TP53 (0.52) TP53KMT2AMEN1GMNNCYP1A2
SCHEMBL12288532 0.83 CYP1A2 (0.53) TP53KMT2AMEN1GMNNCYP1A2
SCHEMBL3129973 0.82 GRM5 (0.75) TP53KMT2AMEN1GMNNCYP1A2
Hydrochloric Acid SCHEMBL2431690 0.81 GRM5 (0.74) TP53KMT2AMEN1GMNNCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 1782/4885KMT2A 4074/4885MEN1 4703/4885

“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.