SCHEMBL6300914

SCHEMBL6300914

O=C(NCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
NHERF1 O14745 1/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SRC P12931 1/20 0.54
AKR1C3 P42330 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 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
SCHEMBL8060736 0.93 HDAC2 (0.54) HDAC2HDAC3HDAC1NCOR2NHERF1
SCHEMBL18750641 0.89 HDAC2 (0.57) HDAC2HDAC3HDAC1NCOR2NHERF1
SCHEMBL17149766 0.89 HDAC2 (0.57) HDAC2HDAC3HDAC1NCOR2NHERF1
SCHEMBL6657894 0.87 NHERF1 (0.69) HDAC2HDAC3HDAC1NCOR2NHERF1
SCHEMBL17149769 0.85 LMNA (0.62) HDAC2HDAC3HDAC1NCOR2NHERF1
SCHEMBL2760063 0.84 HDAC3 (0.60) HDAC2HDAC3HDAC1NHERF1KDM4E
SCHEMBL2735969 0.84 CA12 (0.72) HDAC2HDAC3HDAC1NCOR2KDM4E
SCHEMBL18669175 0.83 KDM4E (0.60) HDAC2HDAC3HDAC1KDM4EALDH1A1
SCHEMBL6657027 0.83 HDAC2 (0.67) HDAC2HDAC3HDAC1NCOR2NHERF1
Hydrochloric Acid SCHEMBL8689713 0.82 KDM4E (0.44) HDAC2HDAC3HDAC1NCOR2KDM4E

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
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 WO disclosed
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 WO disclosed
US-6953809-B2 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED (GB) 2005-10-11 US disclosed
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED 2003-06-26 US disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 US disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 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-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds CCL2, CCL11, CCR1 HDAC2 1356/4885HDAC3 699/4885HDAC1 276/4885

“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.