SCHEMBL18409485

SCHEMBL18409485

Oc1ccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)o3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
DRD4 P21917 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.47
DRD2 P14416 5/20 0.47
DRD3 P35462 5/20 0.47
NR4A2 P43354 3/20 0.47
NR4A1 P22736 2/20 0.47
NR4A3 Q92570 2/20 0.47
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45

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
SCHEMBL18409299 0.91 MAPT (0.60) GAADRD4SMN1; SMN2MAPTLMNA
SCHEMBL18409494 0.88 MAPT (0.51) GAADRD4SMN1; SMN2MAPTLMNA
SCHEMBL18409489 0.87 DRD2 (0.57) GAADRD4SMN1; SMN2MAPTLMNA
SCHEMBL18409304 0.85 MAPT (0.51) GAADRD4SMN1; SMN2MAPTLMNA
SCHEMBL18409492 0.85 LMNA (0.47) GAADRD4SMN1; SMN2MAPTLMNA
SCHEMBL18409481 0.83 DRD4 (0.49) GAADRD4SMN1; SMN2MAPTLMNA
SCHEMBL18409300 0.83 L3MBTL1 (0.53) SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL18409302 0.83 DRD2 (0.50) GAADRD4SMN1; SMN2MAPTLMNA
SCHEMBL11714345 0.81 NR4A2 (0.51) SMN1; SMN2LMNADRD2DRD3NR4A2
SCHEMBL18409735 0.81 KCNH2 (0.58) DRD4SMN1; SMN2MAPTLMNADRD2

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 GAA 208/4885DRD4 4787/4885SMN1; SMN2 1313/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 GAA 1574/4885DRD4 4586/4885SMN1; SMN2 1582/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL GAA 690/4885DRD4 4249/4885SMN1; SMN2 2517/4885

“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.