SCHEMBL3249683

SCHEMBL3249683

Nc1ccc(CCc2ccc(OCCO)cc2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ APP P05067 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLCO1B3 Q9NPD5 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PLA2G4A P47712 2/20 0.39
▸ CYP19A1 P11511 3/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL11344336 0.79 ALDH1A1 (0.60) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL3251668 0.78 CYP19A1 (0.57) ALDH1A1CYP3A4MAPK1CYP19A1
Hydrochloric Acid SCHEMBL3249498 0.77 CYP19A1 (0.56) RAB9AALDH1A1CYP3A4MAPK1CYP19A1
SCHEMBL4810025 0.76 ESR1 (0.52) ALDH1A1CYP3A4CASP1KMT2ACYP19A1
SCHEMBL1048107 0.76 TAAR1 (0.53) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL56581 0.75 APP (0.65) NPC1RAB9AAPPALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3244731 0.74 BLM (0.52) ALDH1A1CYP3A4CASP1KMT2ACYP19A1
SCHEMBL5317003 0.74 MAPT (0.47) RAB9AAPPALDH1A1MEN1USP2
SCHEMBL14193178 0.73 MAOB (0.52) CYP3A4CYP19A1GFER
SCHEMBL213571 0.73 CASP1 (0.39) ALDH1A1MEN1USP2CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 — — EP claimed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US claimed
JP-2007509863-A — — 2007-04-19 — — JP claimed
EP-1685091-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS Wella Aktiengesellschaft (DE) 2006-08-02 — — EP claimed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 — — US claimed
WO-2005051889-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 2005-06-09 — — WO claimed
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 — — EP disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 — — 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 (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-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants DDT, NQO1, MDH2 NPC1 4726/4885RAB9A 3667/4885APP 1312/4885

“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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