SCHEMBL10153267

SCHEMBL10153267

Cc1csc(C(C)C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
NOS1 P29475 1/20 0.40
HSD17B10 Q99714 2/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM1 P11229 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTPRB P23467 1/20 0.33
FDPS P14324 1/20 0.33
RAB9A P51151 4/20 0.32
GAA P10253 3/20 0.32
NPC1 O15118 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 1/20 0.32
FFAR2 O15552 1/20 0.31
MAPT P10636 3/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
TP53 P04637 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
SCHEMBL10152917 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
SCHEMBL14210624 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
SCHEMBL19381813 0.78 SMN1; SMN2 (0.43) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
SCHEMBL23870054 0.78 SMN1; SMN2 (0.43) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
SCHEMBL22624188 0.78 ABCB1 (0.30)
SCHEMBL8751688 0.78 SMN1; SMN2 (0.39) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
Hydrochloric Acid SCHEMBL8682189 0.76 SMN1; SMN2 (0.38) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
Ammonia Solution, Strong SCHEMBL27906407 0.76 SMN1; SMN2 (0.44) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
SCHEMBL14220775 0.74
SCHEMBL20738505 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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 (2 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 SMN1; SMN2 1758/4885NOS1 4189/4885HSD17B10 4501/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 SMN1; SMN2 1758/4885NOS1 4189/4885HSD17B10 4501/4885

“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.