SCHEMBL18409339

SCHEMBL18409339

Clc1cccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2cccc(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
PTPN1 P18031 8/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
NR4A2 P43354 1/20 0.49
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
GPR84 Q9NQS5 5/20 0.45
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
AHR P35869 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PCSK9 Q8NBP7 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
SCHEMBL18409643 0.88 HTR6 (0.54) HTR6PTPN1RXRARXRBRXRG
SCHEMBL18409575 0.87 PTPN1 (0.64) PTPN1RXRARXRBRXRGNR4A2
SCHEMBL18409571 0.87 GPR84 (0.50) PTPN1ALDH1A1RAB9AGPR84MEN1
SCHEMBL18409682 0.87 PTPN1 (0.54) PTPN1ALDH1A1RAB9AGPR84MEN1
SCHEMBL18409329 0.85 RXRA (0.48) PTPN1RXRARXRBRXRGALDH1A1
SCHEMBL18409568 0.85 GPR84 (0.57) PTPN1NR4A2ALDH1A1RAB9AGPR84
SCHEMBL18409333 0.84 RXRA (0.52) PTPN1RXRARXRBRXRGALDH1A1
SCHEMBL18409675 0.84 GPR84 (0.53) PTPN1RXRARXRBGPR84KMT2A
SCHEMBL18409684 0.79 RXRA (0.49) HTR6PTPN1RXRARXRBGPR84
SCHEMBL18409676 0.79 RXRA (0.49) HTR6PTPN1RXRARXRBGPR84

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 4055/4885PTPN1 2437/4885RXRA 172/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 HTR6 4248/4885PTPN1 839/4885RXRA 1247/4885

“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.