SCHEMBL3554931

SCHEMBL3554931

COc1ccc2cc(-c3ccc(C(=O)O)cc3)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
HDAC6 Q9UBN7 3/20 0.56
CA2 P00918 2/20 0.51
CA1 P00915 1/20 0.51
RXRA P19793 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CHEK1 O14757 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL3642836 0.91 HDAC6 (0.48) KDM4EHDAC6CA2CA1RXRA
SCHEMBL12871087 0.89 HDAC6 (0.56) KDM4EHDAC6CA2HDAC3HDAC1
SCHEMBL31310542 0.85 NPC1 (0.56) HDAC6CA2NPC1ALDH1A1RAB9A
SCHEMBL1665299 0.85 NPC1 (0.56) HDAC6CA2NPC1ALDH1A1RAB9A
SCHEMBL7636676 0.83 CA2 (0.51) HDAC6CA2HDAC3HDAC1HDAC2
SCHEMBL1178827 0.83 NPC1 (0.56) KDM4EHDAC6NPC1ALDH1A1RAB9A
SCHEMBL6171301 0.82 ESR2 (0.68) HDAC6CA2NPC1ALDH1A1RAB9A
SCHEMBL12885266 0.82 HDAC6 (0.50) KDM4EHDAC6CA2NR1H4HDAC3
SCHEMBL497643 0.82 HDAC6 (0.62) KDM4EHDAC6CA2CA1CHEK1
SCHEMBL6832572 0.82 ESR1 (0.58) KDM4EHDAC6CA2NPC1ALDH1A1

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
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-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 (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-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 KDM4E 487/4885HDAC6 949/4885CA2 789/4885

“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.