SCHEMBL20535972

SCHEMBL20535972

COC(=O)/C(=C\c1ccc(Cl)cc1Oc1ccc(Cl)c(Cl)c1)N=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 13/20 0.41
▸ SLC6A4 P31645 13/20 0.41
▸ KCNH2 Q12809 12/20 0.41
▸ P2RY1 P47900 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CHEK2 O96017 1/20 0.32

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
SCHEMBL20535973 1.00 HTR2A (0.41) HTR2ASLC6A4KCNH2P2RY1SCN9A
SCHEMBL23709904 0.89 RHEB (0.35) SCN9ACYP3A4CYP2D6CYP2C19
SCHEMBL23709945 0.88 LMNA (0.41) HTR2ASLC6A4KCNH2CYP3A4CYP2C19
SCHEMBL20536123 0.87 L3MBTL1 (0.39) P2RY1CYP3A4CYP2C19
SCHEMBL20536125 0.87 L3MBTL1 (0.39) P2RY1CYP3A4CYP2C19
SCHEMBL24113456 0.84 MAPT (0.38) —
SCHEMBL30009048 0.84 MAPT (0.38) —
SCHEMBL23702418 0.84 RHEB (0.44) HTR2ASLC6A4KCNH2SCN9ACHEK2
SCHEMBL23702419 0.84 RHEB (0.44) HTR2ASLC6A4KCNH2SCN9ACHEK2
SCHEMBL18990257 0.82 POLB (0.34) —

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 HTR2A 4448/4885SLC6A4 4819/4885KCNH2 4734/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS HTR2A 4490/4885SLC6A4 4806/4885KCNH2 4479/4885

“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.

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