SCHEMBL441546

SCHEMBL441546

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NOS1 P29475 1/20 0.43
SSTR4 P31391 1/20 0.39
CYP3A4 P08684 2/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
GAA P10253 4/20 0.33
KMT2A Q03164 4/20 0.33
RAB9A P51151 3/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
GRM5 P41594 2/20 0.32

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
SCHEMBL279632 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NOS1SSTR4CYP3A4CYP2E1
Ammonia Solution, Strong SCHEMBL28044491 0.79 SMN1; SMN2 (0.44) SMN1; SMN2NOS1SSTR4CYP3A4CYP2E1
SCHEMBL12818069 0.79 SMN1; SMN2 (0.50) SMN1; SMN2NOS1SSTR4CYP3A4CYP2E1
SCHEMBL22991009 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NOS1SSTR4CYP3A4GAA
SCHEMBL12128459 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NOS1SSTR4CYP3A4CYP2E1
SCHEMBL127885 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NOS1SSTR4CYP3A4GAA
SCHEMBL8687634 0.77 PDE4A (0.44) SMN1; SMN2NOS1SSTR4CYP3A4RAB9A
Hydrochloric Acid SCHEMBL8870639 0.77 SSTR4 (0.39) SMN1; SMN2NOS1SSTR4GAAKMT2A
SCHEMBL131590 0.74 SMN1; SMN2 (0.44) SMN1; SMN2NOS1SSTR4CYP3A4GAA
SCHEMBL19724475 0.74 SSTR4 (0.47) SMN1; SMN2NOS1SSTR4CYP3A4GAA

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-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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 4189/4885SSTR4 1397/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 SMN1; SMN2 1758/4885NOS1 4189/4885SSTR4 1397/4885

“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.