SCHEMBL2458243

SCHEMBL2458243

C(=C/c1ncc[nH]1)\c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX5 P09917 4/20 0.40
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 1/20 0.32
GAA P10253 1/20 0.32
GUSB P08236 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TLK2 Q86UE8 1/20 0.31
NR1H2 P55055 1/20 0.31

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
SCHEMBL2458245 1.00 NPC1 (0.43) NPC1RAB9AALOX5POLBMAPT
SCHEMBL83476 0.74 KMT2A (0.49) NPC1RAB9APOLBSMN1; SMN2TLK2
SCHEMBL83475 0.74 KMT2A (0.49) NPC1RAB9APOLBSMN1; SMN2TLK2
SCHEMBL4210041 0.74 ALOX5 (0.59) ALOX5POLBMAPTJAK2EGFR
SCHEMBL4210038 0.74 ALOX5 (0.59) ALOX5POLBMAPTJAK2EGFR
SCHEMBL2459274 0.73 NPC1 (0.46) NPC1RAB9AALOX5MAPTSMN1; SMN2
SCHEMBL2459275 0.73 NPC1 (0.46) NPC1RAB9AALOX5MAPTSMN1; SMN2
SCHEMBL2460360 0.72 ALOX5 (0.40) NPC1RAB9AALOX5POLBMAPT
SCHEMBL2457817 0.72 NPC1 (0.40) NPC1RAB9A
SCHEMBL2460357 0.72 ALOX5 (0.40) NPC1RAB9AALOX5POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET NPC1 1244/4885RAB9A 3044/4885ALOX5 3534/4885

“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.