SCHEMBL20535403

SCHEMBL20535403

O=Cc1ccc(Sc2ccc(Cl)c(Cl)c2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 1/20 0.45
GRM5 P41594 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
TERT O14746 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKT1 P31749 1/20 0.36
NOTUM Q6P988 1/20 0.36
PDE7A Q13946 1/20 0.36
HTR1A P08908 1/20 0.34
HTR3A P46098 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
ERN1 O75460 2/20 0.33
USP7 Q93009 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 0.87 ALDH1A1 (0.41) TDP1ALDH1A1GRM5HAO1TERT
SCHEMBL12375092 0.86 TERT (0.43) TDP1ALDH1A1GRM5HAO1TERT
SCHEMBL3305850 0.82 TDP1 (0.56) TDP1ALDH1A1TERTLMNAMAPT
SCHEMBL27920824 0.81 TDP1 (0.46) TDP1ALDH1A1TERTLMNAERN1
SCHEMBL10957865 0.81 HAO1 (0.53) TDP1GRM5HAO1LMNAMAPT
SCHEMBL3148643 0.78 TDP1 (0.55) TDP1ALDH1A1MAPTKMT2AERN1
SCHEMBL20535987 0.77 HTR1A (0.39) TDP1ALDH1A1GRM5HAO1TERT
SCHEMBL3299176 0.76 TDP1 (0.41) TDP1ALDH1A1LMNAMAPTMEN1
SCHEMBL1564067 0.76 XBP1 (0.41) TDP1ALDH1A1LMNAMAPTMEN1
SCHEMBL4327914 0.76 TDP1 (0.41) TDP1ALDH1A1TERTMEN1KMT2A

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 5 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-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
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 TDP1 2905/4885ALDH1A1 3621/4885GRM5 3289/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS TDP1 2657/4885ALDH1A1 3277/4885GRM5 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.