SCHEMBL20535488

SCHEMBL20535488

[N-]=[N+]=N/C(=C\c1ccc(Sc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 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
SCHEMBL20535349 0.90 NOS2 (0.32)
SCHEMBL29657352 0.90 NOS2 (0.32)
SCHEMBL20535346 0.90 NOS2 (0.32)
SCHEMBL20535361 0.87 ICAM1 (0.31) ICAM1SELE
SCHEMBL20535857 0.77 ALDH1A1 (0.47) PTGDRICAM1SELE
SCHEMBL20536249 0.75 MAPT (0.31) ICAM1
SCHEMBL20536251 0.75 MAPT (0.31) ICAM1
SCHEMBL29062759 0.71 KCNA3 (0.33)
SCHEMBL20535591 0.69 ITGAL (0.32) ICAM1SELE
SCHEMBL20840649 0.68 TRPA1 (0.42)

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 PTGDR 2881/4885ICAM1 3963/4885SELE 2760/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS PTGDR 3487/4885ICAM1 4540/4885SELE 4370/4885

“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.