SCHEMBL20535987

SCHEMBL20535987

O=Cc1ccc(Sc2ccc(Cl)c(Cl)c2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR3A P46098 1/20 0.39
GRM5 P41594 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TERT O14746 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2A6 P11509 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
AURKA O14965 1/20 0.34
ITGAL P20701 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL20535594 0.80 ALDH1A1 (0.41) HTR1AHTR3AGRM5MEN1KMT2A
SCHEMBL3269196 0.79 TUBB4A (0.41) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL7539058 0.78 ATM (0.47) MEN1KMT2ALMNANPSR1TERT
SCHEMBL20535403 0.77 TDP1 (0.53) HTR1AHTR3AGRM5MEN1KMT2A
SCHEMBL7189791 0.75 CYP2A6 (0.39) MEN1KMT2ALMNANPSR1ICAM1
SCHEMBL1254074 0.73 CYP2A6 (0.59) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL12375092 0.72 TERT (0.43) GRM5MEN1KMT2ALMNANPSR1
SCHEMBL20535596 0.72 MEN1 (0.41) HTR1AHTR3AGRM5MEN1KMT2A
SCHEMBL23709706 0.71 PLK1 (0.45) HTR1AHTR3AKMT2ALMNAICAM1
SCHEMBL20535591 0.71 ITGAL (0.32) ICAM1SELEITGAL

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 HTR1A 4696/4885HTR3A 4533/4885GRM5 3289/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS HTR1A 4617/4885HTR3A 4600/4885GRM5 3498/4885

“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.