SCHEMBL20535544

SCHEMBL20535544

Nc1cc(Cl)c(OCc2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.47
MGMT P16455 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP19A1 P11511 3/20 0.44
HPD P32754 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 3/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
MAOA P21397 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL20535585 0.86 MGMT (0.50) PTGESMGMTMEN1KMT2AMAOB
SCHEMBL30792340 0.84 PTGES (0.51) PTGESMGMTNPC1RAB9ACYP19A1
SCHEMBL20536238 0.84 CYP19A1 (0.46) NPC1RAB9ACYP19A1ALDH1A1MEN1
SCHEMBL20536264 0.82 MAOB (0.49) NPC1RAB9APPARASMN1; SMN2MEN1
SCHEMBL1193049 0.82 PIN1 (0.49) PTGESMGMTCYP19A1ALDH1A1MEN1
SCHEMBL30792312 0.79 MAOB (0.46) NPC1RAB9APPARAMEN1KMT2A
SCHEMBL31193460 0.77 CYP19A1 (0.58) NPC1RAB9ACYP19A1ALDH1A1SMN1; SMN2
SCHEMBL1578358 0.77 CYP19A1 (0.58) NPC1RAB9ACYP19A1ALDH1A1SMN1; SMN2
SCHEMBL5087371 0.77 ALDH1A1 (0.53) PTGESMGMTALDH1A1SMN1; SMN2MEN1
SCHEMBL20536393 0.77 PIN1 (0.51) NPC1RAB9ACYP19A1SMN1; SMN2POLB

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 PTGES 3691/4885MGMT 2901/4885NPC1 868/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS PTGES 4080/4885MGMT 3225/4885NPC1 403/4885

“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.