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
SCHEMBL6739346 0.73 PDE3B (0.41) ALDH1A1MAPTPDE3BPDE3AGAA
SCHEMBL17758383 0.73 PDE3B (0.41) ALDH1A1MAPTPDE3BPDE3AGAA
SCHEMBL1115539 0.73 GRIA1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2PDE3B
SCHEMBL19644507 0.73 GRIA1 (0.50) ALDH1A1MAPTHTTLMNARAB9A
SCHEMBL22725084 0.73 MAPT (0.42) ALDH1A1MAPTHTTLMNARAB9A
SCHEMBL1827347 0.73 GRIN2D (0.50) 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.

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