SCHEMBL7690181

SCHEMBL7690181

Clc1ccc(OCc2nc3c(OCc4ccccc4)cccc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
RHEB Q15382 1/20 0.47
DHODH Q02127 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
PRMT5 O14744 3/20 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
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 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
SCHEMBL7685877 0.88 NPC1 (0.60) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7690186 0.81 RAB9A (0.60) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL9528101 0.80 RHEB (0.55) RAB9ANPC1SMN1; SMN2TDP1TP53
SCHEMBL9527738 0.80 PDE5A (0.51) RAB9ANPC1SMN1; SMN2TDP1TP53
SCHEMBL7687482 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7689804 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL9528411 0.76 DRD2 (0.53) RAB9ANPC1SMN1; SMN2RHEBDHODH
SCHEMBL7691214 0.76 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL2245506 0.75 RAB9A (1.00) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7619109 0.74 DRD2 (0.67) SMN1; SMN2TDP1DHODHMAPTMAPK1

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 RAB9A 35/4885NPC1 868/4885SMN1; SMN2 4200/4885
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R RAB9A 3072/4885NPC1 1857/4885SMN1; SMN2 2698/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS RAB9A 31/4885NPC1 403/4885SMN1; 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.