SCHEMBL5568307

SCHEMBL5568307

Cc1ccncc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
TBXAS1 P24557 4/20 0.39
TBXA2R P21731 2/20 0.38
F13A1 P00488 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL5569779 0.89 MAPK13 (0.45) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL5569804 0.87 MAPK13 (0.45) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL5567832 0.86 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL5568188 0.83 RAB9A (0.46) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5568866 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL5564825 0.81 MAPK13 (0.59)
SCHEMBL7151520 0.81 ALDH1A1 (0.47) ALDH1A1F13A1
SCHEMBL5564570 0.81 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL5567707 0.80 NPY5R (0.52) MEN1ALDH1A1KMT2A
SCHEMBL5567031 0.80 RORC (0.38) NPC1RAB9AALDH1A1

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
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 US 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-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 NPC1 393/4885RAB9A 801/4885SMN1; SMN2 2375/4885

“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.