SCHEMBL7685877

SCHEMBL7685877

Cc1ccc(OCc2nc3c(OCc4ccccc4)cccc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.60
RAB9A P51151 10/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
DHODH Q02127 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
PDE5A O76074 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PRMT5 O14744 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL7690181 0.88 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL9527738 0.82 PDE5A (0.51) NPC1RAB9ASMN1; SMN2TP53DHODH
SCHEMBL7685881 0.81 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL9528101 0.80 RHEB (0.55) NPC1RAB9ASMN1; SMN2TP53DHODH
SCHEMBL7619109 0.79 DRD2 (0.67) SMN1; SMN2DHODHMAPTMAPK1DRD2
SCHEMBL7684643 0.79 NPC1 (0.63) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL8668275 0.77 RAB9A (0.61) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL7977160 0.76 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2248644 0.75 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL18304068 0.75 DRD2 (0.51) NPC1RAB9ASMN1; SMN2TP53DHODH

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 6 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
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 US disclosed
US-6255494-B1 SUBSTITUTED BENZIMIDAZOLES USEFUL IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y (AROUND ARTERIES IN HEART, RESPIRATORY TRACT, GASTROINTESTINAL TRACT AND GENITOURINARY TRACT); ETIOLOGY OF PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY 2001-07-03 US disclosed
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 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 (3 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 35/4885SMN1; SMN2 4200/4885
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R NPC1 1857/4885RAB9A 3072/4885SMN1; SMN2 2698/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS NPC1 403/4885RAB9A 31/4885SMN1; 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.