SCHEMBL18409678

SCHEMBL18409678

Oc1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.57
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
HTR6 P50406 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
GPR84 Q9NQS5 12/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
AHR P35869 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
AR P10275 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
SCHEMBL18409677 0.92 GPR84 (0.58) PTPN1ALDH1A1RAB9AGPR84MEN1
SCHEMBL18409683 0.92 GPR84 (0.58) PTPN1ALDH1A1RAB9AGPR84MEN1
SCHEMBL18409568 0.90 GPR84 (0.57) PTPN1ALDH1A1RAB9AGPR84MEN1
SCHEMBL18409692 0.89 HTR6 (0.53) PTPN1ALDH1A1RAB9AHTR6HTR1A
SCHEMBL18409572 0.88 PTPN1 (0.50) PTPN1ALDH1A1RAB9AGPR84MEN1
SCHEMBL18409579 0.88 GPR84 (0.61) PTPN1ALDH1A1RAB9AGPR84MEN1
SCHEMBL18409329 0.88 RXRA (0.48) PTPN1ALDH1A1RAB9AGPR84MEN1
SCHEMBL18409337 0.85 GPR84 (0.47) PTPN1ALDH1A1RAB9AGPR84MEN1
SCHEMBL18409680 0.85 GPR84 (0.63) PTPN1ALDH1A1RAB9AGPR84
SCHEMBL18409682 0.85 PTPN1 (0.54) PTPN1ALDH1A1RAB9AGPR84MEN1

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 2437/4885ALDH1A1 325/4885RAB9A 3253/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 PTPN1 839/4885ALDH1A1 292/4885RAB9A 4268/4885

“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.