SCHEMBL18409487

SCHEMBL18409487

c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)[nH]c2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
DRD2 P14416 5/20 0.52
DRD3 P35462 5/20 0.52
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
HTR7 P34969 1/20 0.49
SOAT1 P35610 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR1A P08908 1/20 0.48
MAPT P10636 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
SCHEMBL18409350 0.88 DRD4 (0.48) DRD4SMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL18409483 0.88 DRD4 (0.50) DRD4SMN1; SMN2LMNADRD2DRD3
SCHEMBL22602388 0.88 DRD4 (0.62) DRD4SMN1; SMN2LMNADRD2DRD3
SCHEMBL22602014 0.88 DRD4 (0.64) DRD4SMN1; SMN2LMNAGAASOAT1
SCHEMBL18409588 0.86 DRD4 (0.66) DRD4SMN1; SMN2LMNADRD2GAA
SCHEMBL18409353 0.86 MEN1 (0.54) DRD4LMNADRD2DRD3SOAT1
SCHEMBL18409486 0.86 DRD4 (0.49) DRD4SMN1; SMN2LMNADRD2DRD3
SCHEMBL18409305 0.86 DRD4 (0.51) DRD4SMN1; SMN2LMNADRD2DRD3
SCHEMBL22602041 0.84 DRD4 (0.53) DRD4SMN1; SMN2LMNADRD2DRD3
SCHEMBL22602387 0.84 DRD4 (0.49) DRD4SMN1; SMN2LMNADRD2DRD3

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 DRD4 4787/4885SMN1; SMN2 1313/4885LMNA 1482/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 DRD4 4586/4885SMN1; SMN2 1582/4885LMNA 4635/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL DRD4 4249/4885SMN1; SMN2 2517/4885LMNA 2809/4885

“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.