SCHEMBL20535332

SCHEMBL20535332

Nc1cc(Cl)c(OCc2cccc(Cl)c2)cc1N

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.57
CYP3A4 P08684 2/20 0.54
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
MAOB P27338 3/20 0.54
ENPP2 Q13822 1/20 0.52
DHFR P00374 2/20 0.52
DCPS Q96C86 1/20 0.52
MPO P05164 1/20 0.50
SLC6A4 P31645 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL20535507 0.85 GAA (0.51) MRGPRX4MAOB
SCHEMBL20535609 0.84 MAOB (0.55) MRGPRX4IDO1AGXTMAOB
SCHEMBL6827590 0.83 MRGPRX4 (0.64) MRGPRX4CYP3A4IDO1AGXTMAOB
SCHEMBL20536357 0.82 MRGPRX4 (0.47) MRGPRX4CYP3A4IDO1AGXTMAOB
SCHEMBL20535823 0.81 CCR5 (0.49) MRGPRX4IDO1AGXTMAOBMPO
SCHEMBL20535652 0.79 SMN1; SMN2 (0.47) MRGPRX4ENPP2
SCHEMBL9550346 0.78 RXRA (0.56) MRGPRX4MAOB
SCHEMBL5089248 0.77 MAOB (0.67) CYP3A4IDO1AGXTMAOBDHFR
SCHEMBL4270131 0.77 MAOB (0.54) MRGPRX4IDO1AGXTMAOB
SCHEMBL2565901 0.77 GAA (0.50) MRGPRX4MAOB

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 MRGPRX4 1697/4885CYP3A4 2747/4885IDO1 2311/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS MRGPRX4 2982/4885CYP3A4 3619/4885IDO1 3778/4885

“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.