SCHEMBL18409643

SCHEMBL18409643

Clc1cccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.54
RXRA P19793 8/20 0.52
RXRB P28702 8/20 0.52
RXRG P48443 8/20 0.52
NR4A2 P43354 2/20 0.52
PTGS1 P23219 1/20 0.42
EPHX2 P34913 1/20 0.42
PTGS2 P35354 1/20 0.42
ADRB3 P13945 1/20 0.41
PTPN1 P18031 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
SLC6A4 P31645 1/20 0.39

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
SCHEMBL18409339 0.88 HTR6 (0.52) HTR6RXRARXRBRXRGNR4A2
SCHEMBL18409637 0.88 CDK4 (0.46) HTR6RXRARXRBRXRGPTPN1
SCHEMBL18409633 0.88 PTPN1 (0.45) HTR6RXRARXRBRXRGNR4A2
SCHEMBL22692981 0.87 NR4A2 (0.46) HTR6RXRARXRBRXRGNR4A2
SCHEMBL18409642 0.86 NR4A2 (0.53) HTR6RXRARXRBRXRGNR4A2
SCHEMBL18409702 0.85 HTR6 (0.43) HTR6RXRARXRBRXRGNR4A2
SCHEMBL18409723 0.85 RXRA (0.54) HTR6RXRARXRBRXRGPTPN1
SCHEMBL18409645 0.85 RXRA (0.54) HTR6RXRARXRBHTR1AHTR2A
SCHEMBL18409685 0.81 PTPN1 (0.46) HTR6RXRARXRBRXRGNR4A2
SCHEMBL18409641 0.81 CDK4 (0.47) HTR6RXRARXRBRXRGPTPN1

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-10844051-B2 Substituted oxazoles for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY 2020-11-24 US disclosed
US-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-07-26 US disclosed
WO-2017011920-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-01-26 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 (2 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-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS VHL, TP53, CD44 HTR6 4055/4885RXRA 172/4885RXRB 232/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 HTR6 4248/4885RXRA 1247/4885RXRB 1153/4885

“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.