SCHEMBL3341909

SCHEMBL3341909

Nc1cc2[nH]c(=O)[nH]c2cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
GAA P10253 2/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL4704585 0.86 CASP7 (0.58) CASP7CASP6CASP8ALDH1A1MAPT
SCHEMBL2894232 0.83 PDE3B (0.50) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL1827312 0.77 ALDH1A1 (0.53) CASP7ALDH1A1MAPTHTTPDE3B
SCHEMBL1115539 0.73 GRIA1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2PDE3B
SCHEMBL17758383 0.73 PDE3B (0.41) ALDH1A1MAPTPDE3BPDE3AGAA
SCHEMBL6739346 0.73 PDE3B (0.41) ALDH1A1MAPTPDE3BPDE3AGAA
SCHEMBL1827347 0.73 GRIN2D (0.50) ALDH1A1MAPTHTTLMNARAB9A
SCHEMBL19644507 0.73 GRIA1 (0.50) ALDH1A1MAPTHTTLMNARAB9A
SCHEMBL22725084 0.73 MAPT (0.42) ALDH1A1MAPTHTTLMNARAB9A
SCHEMBL31748445 0.73 MAPT (0.42) ALDH1A1MAPTHTTLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160136077-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING AN AMINOBENZIMIDAZOLONE OXIDATION BASE AND A METAL CATALYST L'OREAL (FR) 2016-05-19 US disclosed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 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 (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-20160136077-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING AN AMINOBENZIMIDAZOLONE OXIDATION BASE AND A METAL CATALYST KRT18, CYB5R3, AOC3 CASP7 1173/4885CASP6 553/4885CASP8 2224/4885
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 CASP7 3003/4885CASP6 2537/4885CASP8 2125/4885

“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.