SCHEMBL20535655

SCHEMBL20535655

COC(=O)/C(=C\c1ccc(Oc2ccccc2)cc1Br)N=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.40
▸ PGR P06401 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ XDH P47989 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ LTA4H P09960 1/20 0.34

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
SCHEMBL20535659 1.00 HDAC8 (0.40) HDAC8PGRSMN1; SMN2NPC1RAB9A
SCHEMBL20536245 0.87 SMN1; SMN2 (0.37) HDAC8PGRSMN1; SMN2NPC1RAB9A
SCHEMBL20536246 0.87 SMN1; SMN2 (0.37) HDAC8PGRSMN1; SMN2NPC1RAB9A
SCHEMBL23709920 0.87 NPC1 (0.37) HDAC8PGRSMN1; SMN2NPC1RAB9A
SCHEMBL29015479 0.87 SMN1; SMN2 (0.37) HDAC8PGRSMN1; SMN2NPC1RAB9A
SCHEMBL29015520 0.84 SMN1; SMN2 (0.37) HDAC8PGRSMN1; SMN2NPC1RAB9A
SCHEMBL24189544 0.84 SMN1; SMN2 (0.37) HDAC8PGRSMN1; SMN2NPC1RAB9A
SCHEMBL30396850 0.84 SMN1; SMN2 (0.37) HDAC8PGRSMN1; SMN2NPC1RAB9A
SCHEMBL29657534 0.82 HDAC8 (0.35) HDAC8SMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL13769055 0.81 ATM (0.48) SMN1; SMN2NPC1RAB9AMAPTGAA

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 HDAC8 2287/4885PGR 3624/4885SMN1; SMN2 4200/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS HDAC8 2582/4885PGR 3893/4885SMN1; 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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