SCHEMBL18409682

SCHEMBL18409682

Oc1cccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2cccc(O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.54
MET P08581 1/20 0.48
GPR84 Q9NQS5 8/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
HPGDS O60760 2/20 0.44
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

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
SCHEMBL18409684 0.91 RXRA (0.49) PTPN1METGPR84
SCHEMBL18409676 0.91 RXRA (0.49) PTPN1METGPR84
SCHEMBL18409685 0.90 PTPN1 (0.46) PTPN1METGPR84HPGDS
SCHEMBL18409633 0.88 PTPN1 (0.45) PTPN1METGPR84HPGDS
SCHEMBL18409575 0.87 PTPN1 (0.64) PTPN1GPR84ALDH1A1RAB9AMEN1
SCHEMBL18409571 0.87 GPR84 (0.50) PTPN1GPR84ALDH1A1RAB9AMEN1
SCHEMBL18409339 0.87 HTR6 (0.52) PTPN1GPR84ALDH1A1RAB9AMEN1
SCHEMBL18409678 0.85 PTPN1 (0.57) PTPN1GPR84ALDH1A1RAB9AMEN1
SCHEMBL18409568 0.85 GPR84 (0.57) PTPN1GPR84ALDH1A1RAB9AMEN1
SCHEMBL18409333 0.84 RXRA (0.52) PTPN1GPR84ALDH1A1RAB9A

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 PTPN1 2437/4885MET 1091/4885GPR84 2974/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 PTPN1 839/4885MET 791/4885GPR84 843/4885

“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.