SCHEMBL2743640

SCHEMBL2743640

CCCC[S+]([O-])c1ccc(C)nc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.34
HPGDS O60760 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20037676 0.81 ELANE (0.31) ELANECYP1A2CYP2E1CYP2A6CYP2B6
SCHEMBL11670613 0.78 KDM4E (0.33)
SCHEMBL11671275 0.78 KDM4E (0.31)
SCHEMBL11670927 0.76 KDM4E (0.54) MAPTKMT2ACYP1A2
SCHEMBL6321020 0.76 HTT (0.35) MAPTCYP2C19
SCHEMBL11671025 0.73 MAPK1 (0.48) MAPTKMT2ACYP1A2CYP2C19
SCHEMBL7289270 0.72 ESR1 (0.44) CYP1A2CYP2C19
SCHEMBL12147796 0.71 ELANE (0.37) KMT2AELANEHPGDSCYP1A2CYP2E1
SCHEMBL24844527 0.71 MAPT (0.39) MAPTKMT2ACYP1A2CYP2C19
SCHEMBL6625298 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101151244-B Histamine H3 receptor agents, preparation and therapeutic uses LILLY CO ELI 2014-09-03 CN disclosed
EP-1868991-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2014-07-30 EP disclosed
US-8178528-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2012-05-15 US disclosed
US-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2010-06-24 US disclosed
CN-101151244-A Histamine H3 receptor agents, preparation and therapeutic uses LILLY CO ELI (US) 2008-03-26 CN disclosed
EP-1868991-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-12-26 EP disclosed
WO-2006107661-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed
US-4036965-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1977-07-19 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-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 MAPT 695/4885KMT2A 123/4885ELANE 1120/4885

“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.