SCHEMBL17996014

SCHEMBL17996014

O=[N+]([O-])c1cccc([N+](=O)[O-])c1Nc1cccc(Br)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.50
▸ MAPK1 P28482 6/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ CXCR2 P25025 4/20 0.45
▸ CXCR1 P25024 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ERN1 O75460 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ CRHBP P24387 1/20 0.40

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
SCHEMBL22964930 0.81 CXCR2 (0.50) MAPK1MEN1KMT2AMAPTTDP1
SCHEMBL31072242 0.81 CXCR2 (0.50) MAPK1MEN1KMT2AMAPTTDP1
SCHEMBL846242 0.79 GPR35 (0.72) GPR35MAPK1MEN1KMT2AMAPT
SCHEMBL17996079 0.79 CXCR2 (0.57) GPR35MAPK1MEN1KMT2AMAPT
SCHEMBL30677987 0.79 MAPK1 (0.64) MAPK1MEN1KMT2AMAPTTDP1
SCHEMBL22188151 0.79 MAPK1 (0.64) MAPK1MEN1KMT2AMAPTTDP1
SCHEMBL2043906 0.79 MEN1 (0.58) GPR35MAPK1MEN1KMT2AMAPT
SCHEMBL18022833 0.78 MAPK1 (0.58) MAPK1MEN1KMT2AMAPTTDP1
SCHEMBL17996015 0.76 MEN1 (0.45) GPR35MAPK1MEN1KMT2AMAPT
SCHEMBL17996006 0.76 CXCR2 (0.49) GPR35MAPK1MEN1KMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-11 — — US 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-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 GPR35 2406/4885MAPK1 3724/4885MEN1 746/4885

“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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