SCHEMBL18409299

SCHEMBL18409299

c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)oc2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
DRD4 P21917 3/20 0.53
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
LMNA P02545 5/20 0.51
ALDH1A1 P00352 2/20 0.50
GFER P55789 1/20 0.50
NR4A1 P22736 2/20 0.49
NR4A2 P43354 2/20 0.49
NR4A3 Q92570 2/20 0.49
HTR7 P34969 1/20 0.49
CACNA1G O43497 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ABCC4 O15439 1/20 0.47
C5 P01031 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL18409485 0.91 GAA (0.56) MAPTSMN1; SMN2DRD4DRD2DRD3
SCHEMBL18409494 0.91 MAPT (0.51) MAPTSMN1; SMN2DRD4DRD2DRD3
SCHEMBL18409304 0.88 MAPT (0.51) MAPTSMN1; SMN2DRD4DRD2DRD3
SCHEMBL18409489 0.88 DRD2 (0.57) MAPTSMN1; SMN2DRD4DRD2DRD3
SCHEMBL18409349 0.88 CACNA1G (0.55) MAPTSMN1; SMN2DRD4DRD2DRD3
SCHEMBL18409586 0.86 RXRA (0.53) MAPTSMN1; SMN2DRD4DRD2LMNA
SCHEMBL18409300 0.86 L3MBTL1 (0.53) MAPTSMN1; SMN2
SCHEMBL11714345 0.86 NR4A2 (0.51) SMN1; SMN2DRD2DRD3LMNAALDH1A1
SCHEMBL18409735 0.86 KCNH2 (0.58) MAPTSMN1; SMN2DRD4DRD2DRD3
SCHEMBL11717178 0.86 HRH3 (0.54) DRD2DRD3LMNAALDH1A1NR4A1

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 MAPT 1911/4885SMN1; SMN2 1313/4885DRD4 4787/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 MAPT 4624/4885SMN1; SMN2 1582/4885DRD4 4586/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL MAPT 3997/4885SMN1; SMN2 2517/4885DRD4 4249/4885

“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.