SCHEMBL9028248

SCHEMBL9028248

Fc1ccccc1-c1noc(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.56
RAB9A P51151 11/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
PKM P14618 2/20 0.54
MAPK1 P28482 1/20 0.54
TUBB4A P04350 5/20 0.51
TUBB P07437 5/20 0.51
TUBA3C P0DPH7 5/20 0.51
TUBA1B P68363 5/20 0.51
TUBA4A P68366 5/20 0.51
TUBB4B P68371 5/20 0.51
TUBB3 Q13509 5/20 0.51
TUBB2A Q13885 5/20 0.51

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
SCHEMBL23911673 0.80 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL29077256 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL4907998 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL23911668 0.77 CYP1A2 (0.44) NPC1MAPK1MAPTALDH1A1HSD17B10
SCHEMBL28869666 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL18978020 0.75 TUBB4A (0.57) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL3767872 0.72 NPC1 (0.41) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL3770905 0.71 NR1H4 (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28642673 0.70 RAB9A (1.00) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL18920485 0.69 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2GAAKMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2703392-B1 5-MEMBERED RING AROMATIC HETEROCYCLIC DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2017-06-14 EP disclosed
US-8916594-B2 5-membered ring heteroaromatic derivatives having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-12-23 US disclosed
US-8916594-B2 5-membered ring heteroaromatic derivatives having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-12-23 US disclosed
EP-2703392-A1 5-MEMBERED RING AROMATIC HETEROCYCLIC DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi & Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20140051862-A1 5-MEMBERED RING HETEROAROMATIC DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-02-20 US disclosed
EP-0667865-B1 OXA- AND THIADIAZOLE DERIVATIVES USED AS INSECTICIDES AND FUNGICIDES ZENECA LTD (GB) 1996-12-11 EP disclosed
EP-0667865-A1 OXA- AND THIADIAZOLE DERIVATIVES USED AS INSECTICIDES AND FUNGICIDES. ZENECA LTD (GB) 1995-08-23 EP disclosed
US-5438066-A Fungicide, insecticide, miticide and pesticide ZENECA LIMITED (GB) 1995-08-01 US disclosed
CN-1090848-A Oxadiazole and thiadiazoles derivative ZENECA LTD (GB) 1994-08-17 CN disclosed
WO-1994010159-A1 OXA- AND THIADIAZOLE DERIVATIVES USED AS INSECTICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1994-05-11 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 (1 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-20140051862-A1 5-MEMBERED RING HETEROAROMATIC DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPC1 4606/4885RAB9A 2694/4885SMN1; SMN2 4657/4885

“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.