SCHEMBL14829147

SCHEMBL14829147

NNc1cc(Cl)cnc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.38
GALR3 O60755 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
S1PR4 O95977 2/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL30805627 0.79 MAPT (0.38) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL3545535 0.76 TSHR (0.48) GALR3CTDSP1L3MBTL1KDM4EALDH1A1
SCHEMBL20529659 0.75 MAPT (0.40) AHRGALR3CTDSP1L3MBTL1KDM4E
SCHEMBL2448243 0.73 KDM4E (0.42) GALR3CTDSP1L3MBTL1KDM4EALDH1A1
SCHEMBL31289923 0.73 MAPT (0.45) AHRGALR3CTDSP1L3MBTL1KDM4E
SCHEMBL3668043 0.73 S1PR4 (0.43) AHRGALR3CTDSP1L3MBTL1KDM4E
SCHEMBL2340132 0.73 KDM4E (0.38) AHRGALR3CTDSP1L3MBTL1KDM4E
SCHEMBL23199502 0.70 ERN1 (0.38) AHRGALR3CTDSP1L3MBTL1KDM4E
SCHEMBL15685336 0.70 KDM4E (0.36) AHRGALR3CTDSP1L3MBTL1KDM4E
SCHEMBL30805597 0.69 POLB (0.52) ALDH1A1MAPTKMT2AMEN1

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-3461825-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2019-04-03 EP disclosed
EP-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 EP disclosed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US disclosed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US disclosed
EP-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP disclosed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 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-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES HRH4, HRH2, HRH1 AHR 140/4885GALR3 245/4885CTDSP1 4841/4885

“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.