SCHEMBL20535994

SCHEMBL20535994

[N-]=[N+]=N/C(=C/c1ccc(Cl)cc1Br)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.34
▸ KDM4E B2RXH2 6/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ERN1 O75460 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
SCHEMBL20535997 1.00 GRIK1 (0.34) GRIK1KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL23702352 0.84 KDM4E (0.33) GRIK1KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL23702353 0.84 KDM4E (0.33) GRIK1KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL29063087 0.83 GPR183 (0.34) GRIK1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL23148058 0.83 SLC9A3 (0.36) KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL28925997 0.83 PKM (0.35) SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18990053 0.83 ALDH1A1 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL18990057 0.83 ALDH1A1 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL18990052 0.83 ALDH1A1 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL28463731 0.81 GAA (0.38) KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A

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 GRIK1 4312/4885KDM4E 2462/4885SMN1; SMN2 4200/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS GRIK1 3361/4885KDM4E 3566/4885SMN1; SMN2 2458/4885

“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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