SCHEMBL1833382

SCHEMBL1833382

COC(=O)c1ccc(SCCCc2ccncc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.52
CYP4F2 P78329 1/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.51
HAO1 Q9UJM8 1/20 0.51
METAP2 P50579 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
NAMPT P43490 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL1832304 0.82 HAO1 (0.54) ALDH1A1KDM4EHAO1NAMPTLMNA
SCHEMBL7978843 0.81 CYP4A11 (0.62) CYP4A11CYP4F2ALDH1A1KDM4EGSK3A
SCHEMBL7397574 0.81 MAPT (0.64) CYP4A11CYP4F2LMNAKMT2ACYP1A2
SCHEMBL1832305 0.81 HAO1 (0.53) ALDH1A1KDM4EHAO1LMNAGAA
SCHEMBL2653558 0.79 CYP4A11 (0.56) CYP4A11CYP4F2ALDH1A1LMNAKMT2A
SCHEMBL9673198 0.78 CYP4A11 (0.58) CYP4A11CYP4F2ALDH1A1KMT2APOLB
SCHEMBL10701713 0.77 NPC1 (0.58) ALDH1A1NAMPTLMNAGAAKMT2A
SCHEMBL3919430 0.77 GSK3A (0.62) ALDH1A1METAP2GSK3AGSK3BLMNA
SCHEMBL10366608 0.77 KMT2A (0.53) CYP4A11CYP4F2ALDH1A1KMT2AMAPT
SCHEMBL3712221 0.77 MAPT (0.49) CYP4A11CYP4F2ALDH1A1GAAKMT2A

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
EP-1904442-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2011-09-07 EP disclosed
US-8008296-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-08-30 US disclosed
EP-2322506-A1 Histamine H3 receptor agents, preparation and therapeutic uses Eli Lilly and Company (US) 2011-05-18 EP disclosed
US-20100160319-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-06-24 US disclosed
EP-1904442-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
WO-2007005503-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-01-11 WO 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-20100160319-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 CYP4A11 1332/4885CYP4F2 2519/4885ALDH1A1 2259/4885

“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.