SCHEMBL18409586

SCHEMBL18409586

COc1cccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)o3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
MAPT P10636 7/20 0.52
HSD17B10 Q99714 1/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
DRD4 P21917 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GFER P55789 1/20 0.50
DRD2 P14416 1/20 0.49
KCNH2 Q12809 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
USP2 O75604 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL18409632 0.88 SIGMAR1 (0.62) RXRARXRBMAPTHSD17B10LMNA
SCHEMBL18409299 0.86 MAPT (0.60) RXRARXRBMAPTTSHRLMNA
SCHEMBL18409489 0.85 DRD2 (0.57) RXRARXRBMAPTTSHRLMNA
SCHEMBL18409349 0.85 CACNA1G (0.55) RXRARXRBMAPTLMNADRD4
SCHEMBL18409625 0.82 SIGMAR1 (0.59) RXRARXRBMAPTTSHRLMNA
SCHEMBL18409302 0.81 DRD2 (0.50) RXRARXRBMAPTLMNADRD4
SCHEMBL11626319 0.80 KDM4E (0.54) MAPTHSD17B10TSHRLMNADRD4
SCHEMBL18409485 0.79 GAA (0.56) RXRARXRBMAPTTSHRLMNA
SCHEMBL18409494 0.79 MAPT (0.51) MAPTTSHRLMNADRD4KDM4E
SCHEMBL18409473 0.78 LMNA (0.52) RXRARXRBMAPTLMNADRD4

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 4 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-20200339554-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) 2020-10-29 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 (3 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 RXRA 172/4885RXRB 232/4885MAPT 1911/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 RXRA 1247/4885RXRB 1153/4885MAPT 4624/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL RXRA 3382/4885RXRB 2942/4885MAPT 3997/4885

“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.