SCHEMBL18409590

SCHEMBL18409590

O=C(c1ccco1)N1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 7/20 0.56
SMO Q99835 1/20 0.54
GLA P06280 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TP53 P04637 1/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ATM Q13315 1/20 0.53
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL18409495 0.85 KDM4E (0.52) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18409353 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1CYP2D6KDM4E
SCHEMBL3398060 0.79 ALDH1A1 (0.77) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18409584 0.78 MEN1 (0.67) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13149231 0.78 TP53 (0.82) MEN1KMT2AALDH1A1CHRM2CYP3A4
SCHEMBL18409487 0.74 DRD4 (0.60) L3MBTL1SMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL18409476 0.73 ALDH1A1 (0.49) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27645576 0.71 KMT2A (0.64) L3MBTL1MEN1KMT2AALDH1A1GLA
SCHEMBL4754255 0.71 TP53 (0.69) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18409357 0.71 ALDH1A1 (0.48) L3MBTL1MEN1KMT2AALDH1A1KDM4E

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 L3MBTL1 1337/4885SMN1; SMN2 1313/4885MEN1 88/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 L3MBTL1 1647/4885SMN1; SMN2 1582/4885MEN1 2789/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL L3MBTL1 2912/4885SMN1; SMN2 2517/4885MEN1 327/4885

“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.