SCHEMBL3199872

SCHEMBL3199872

CCOc1cccc(-c2csc(-c3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.65
▸ RXRB P28702 1/20 0.65
▸ KDM4E B2RXH2 5/20 0.63
▸ NPC1 O15118 5/20 0.63
▸ RAB9A P51151 5/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ CDC25A P30304 2/20 0.59
▸ CDC25B P30305 2/20 0.59
▸ CDC25C P30307 2/20 0.59
▸ DUSP3 P51452 2/20 0.59
▸ EIF4E P06730 2/20 0.55
▸ CYP19A1 P11511 1/20 0.54
▸ CSNK2A1 P68400 1/20 0.53
▸ PDE4A P27815 1/20 0.53
▸ PDE4B Q07343 1/20 0.53
▸ PDE4C Q08493 1/20 0.53
▸ PDE4D Q08499 1/20 0.53

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
SCHEMBL7217226 0.86 CDC25A (0.62) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7222214 0.82 KDM4E (0.70) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6200825 0.81 PDE4A (0.72) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17336695 0.80 SMN1; SMN2 (0.81) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4758879 0.80 RXRA (1.00) RXRARXRBSMN1; SMN2KMT2AMAPK1
SCHEMBL18314425 0.80 RXRA (1.00) RXRARXRBSMN1; SMN2KMT2AMAPK1
SCHEMBL12797778 0.79 CYP19A1 (0.69) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7507983 0.79 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7221293 0.79 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7215184 0.78 KDM4E (0.73) KDM4ENPC1RAB9ASMN1; SMN2MEN1

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-1784400-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2015-01-14 — — EP disclosed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 — — US disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 — — US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 — — US disclosed
EP-1784400-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-16 — — EP disclosed
WO-2006023462-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-03-02 — — 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 (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-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 RXRA 2283/4885RXRB 2128/4885KDM4E 487/4885
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 RXRA 2272/4885RXRB 2175/4885KDM4E 480/4885

“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.

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