SCHEMBL17349232

SCHEMBL17349232

CC1=C(C)Nc2ccccc2NC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR5A P47898 2/20 0.36
BRPF1 P55201 2/20 0.36
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 4/20 0.32
CREBBP Q92793 3/20 0.32
EP300 Q09472 1/20 0.32
ROS1 P08922 1/20 0.32
CDK5 Q00535 1/20 0.32
ACVR1 Q04771 1/20 0.32
LRRK2 Q5S007 1/20 0.32
NOX1 Q9Y5S8 1/20 0.31
HSD17B3 P37058 1/20 0.31

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
SCHEMBL14491948 0.75 NOX1 (0.42) MEN1KMT2AALOX15HSD17B10BRPF1
SCHEMBL18944544 0.74 MEN1 (0.36) MEN1KMT2AALOX15HSD17B10HTR5A
SCHEMBL22292641 0.70 NPC1 (0.52) MEN1KMT2AALOX15HSD17B10HTR5A
SCHEMBL310398 0.68 HTR5A (0.57) MEN1KMT2AALOX15HSD17B10HTR5A
SCHEMBL4294892 0.68 MEN1 (0.50) MEN1KMT2AALOX15HSD17B10HTR5A
SCHEMBL37900 0.68 AHR (0.50) MEN1KMT2AALOX15HSD17B10BRPF1
SCHEMBL29483964 0.68 AHR (0.50) MEN1KMT2AALOX15HSD17B10BRPF1
SCHEMBL21229055 0.67 MEN1 (0.42) MEN1KMT2AALOX15HSD17B10HTR5A
SCHEMBL8805855 0.64 BRPF1 (0.47) MEN1KMT2AALOX15HSD17B10BRPF1
SCHEMBL8800787 0.64 HSD17B10 (0.44) MEN1KMT2AALOX15HSD17B10HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA MEN1 4391/4885KMT2A 1031/4885ALOX15 3858/4885

“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.