SCHEMBL20535491

SCHEMBL20535491

COC(=O)/C(=C\c1cc(Cl)c(Cl)cc1Sc1ccc(Cl)cc1)N=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK1 P28482 1/20 0.34
RHEB Q15382 4/20 0.31
BLM P54132 1/20 0.31
NOD2 Q9HC29 1/20 0.31
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL20535493 1.00 ALDH1A1 (0.39) ALDH1A1LMNANPSR1MAPTKDM4E
SCHEMBL20535776 0.84 ICAM1 (0.31) ALDH1A1L3MBTL1HTTITGAL
SCHEMBL20535775 0.84 ICAM1 (0.31) ALDH1A1L3MBTL1HTTITGAL
SCHEMBL20535357 0.81
SCHEMBL20535355 0.81
SCHEMBL23709693 0.80 ITGB2 (0.39) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL20535991 0.80 USP7 (0.32) MAPTMEN1KMT2AITGAL
SCHEMBL20535990 0.80 USP7 (0.32) MAPTMEN1KMT2AITGAL
SCHEMBL23709933 0.79 LMNA (0.46) ALDH1A1LMNANPSR1MAPTKDM4E
SCHEMBL18990257 0.79 POLB (0.34) ALDH1A1LMNAMAPTKDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 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 (2 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS ALDH1A1 3621/4885LMNA 4243/4885NPSR1 4530/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS ALDH1A1 3277/4885LMNA 2918/4885NPSR1 4567/4885

“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.