SCHEMBL18153353

SCHEMBL18153353

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
LSS P48449 1/20 0.53
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.49
CCNE1 P24864 5/20 0.47
CDK2 P24941 5/20 0.47
MAPK1 P28482 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL20042123 0.91 PKM (0.60) PKMKMT2AHSD17B10CCNE1CDK2
SCHEMBL20042129 0.91 PKM (0.60) PKMKMT2AHSD17B10CCNE1CDK2
SCHEMBL18153345 0.90 KMT2A (0.49) PKMLSSKMT2AHSD17B10MAPK1
SCHEMBL18153385 0.90 LSS (0.51) PKMLSSKMT2AMAPTRXFP1
SCHEMBL18162525 0.90 PKM (0.59) PKMKMT2AHSD17B10CCNE1CDK2
SCHEMBL20042135 0.90 PKM (0.59) PKMKMT2AHSD17B10CCNE1CDK2
SCHEMBL20042134 0.89 PKM (0.58) PKMKMT2AHSD17B10CCNE1CDK2
SCHEMBL18162471 0.89 PKM (0.62) PKMKMT2AHSD17B10CCNE1CDK2
SCHEMBL20042133 0.88 PKM (0.56) PKMKMT2AHSD17B10CCNE1CDK2
SCHEMBL18153350 0.87 PKM (0.56) PKMKMT2AHSD17B10CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PKM 4360/4885LSS 1331/4885KMT2A 4450/4885

“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.