SCHEMBL20536404

SCHEMBL20536404

Nc1cc(Cl)c(OCc2ccc(F)cc2)cc1NC(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PPARA Q07869 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL20535595 0.91 HDAC8 (0.48) NPC1RAB9AHDAC1KDM4EALDH1A1
SCHEMBL20536472 0.88 KDM4E (0.56) HDAC1HDAC2KDM4EGAAMEN1
SCHEMBL20535704 0.83 KDM4E (0.48) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL20535985 0.79 HPGD (0.46) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL20535652 0.78 SMN1; SMN2 (0.47) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL20536264 0.78 MAOB (0.49) NPC1RAB9APPARAMEN1KMT2A
SCHEMBL30792312 0.76 MAOB (0.46) NPC1RAB9APPARAMEN1KMT2A
SCHEMBL20535989 0.75 HDAC8 (0.49) NPC1RAB9AGAAALDH1A1MEN1
SCHEMBL20535544 0.71 PTGES (0.47) NPC1RAB9APPARAALDH1A1MEN1
SCHEMBL4343001 0.71 NPC1 (0.58) NPC1RAB9ANFKB1NFKB2RELA

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 NPC1 868/4885RAB9A 35/4885NFKB1 353/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS NPC1 403/4885RAB9A 31/4885NFKB1 1736/4885

“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.