SCHEMBL18153345

SCHEMBL18153345

Cc1cc(Nc2ccc(C#N)cc2)nc(N2CCN(S(=O)(=O)c3ccc(OCCN(C)C)cc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
PKM P14618 2/20 0.44
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
MAPK1 P28482 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LSS P48449 1/20 0.42
CCR6 P51684 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
BLM P54132 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
SYK P43405 1/20 0.40
HRH2 P25021 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
SCHEMBL20042128 0.91 KMT2A (0.52) KMT2AHSD17B10GAAL3MBTL1MAPT
SCHEMBL20042125 0.91 KMT2A (0.52) KMT2AHSD17B10GAAL3MBTL1MAPT
SCHEMBL18153353 0.90 PKM (0.57) KMT2AHSD17B10MAPTPKMCACNA1H
SCHEMBL18162528 0.90 KMT2A (0.51) KMT2AHSD17B10GAAL3MBTL1MAPT
SCHEMBL20042180 0.89 HSD17B10 (0.60) KMT2AHSD17B10GAAL3MBTL1MAPT
SCHEMBL18087226 0.87 KMT2A (0.66) KMT2AHSD17B10GAAL3MBTL1MAPT
SCHEMBL18162420 0.85 MAPT (0.54) KMT2AHSD17B10GAAL3MBTL1MAPT
SCHEMBL20042179 0.84 KMT2A (0.52) KMT2AHSD17B10GAAL3MBTL1MAPT
SCHEMBL18162483 0.84 PKM (0.65) KMT2AGAAL3MBTL1MAPTPKM
SCHEMBL18153354 0.84 GAA (0.51) KMT2AHSD17B10GAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 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 (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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS KMT2A 4450/4885HSD17B10 1642/4885GAA 1850/4885

“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.