SCHEMBL3245628

SCHEMBL3245628

Cc1ccc(CCc2ccc(N)cc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ GFER P55789 2/20 0.46
▸ CYP19A1 P11511 5/20 0.45
▸ ACHE P22303 1/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ MAOA P21397 3/20 0.41
▸ MAOB P27338 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ DAO P14920 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
SCHEMBL25161712 0.89 TAAR1 (0.48) CYP1A2CYP2A6TAAR1GFERCYP19A1
SCHEMBL20611212 0.88 CYP1A2 (0.46) CYP1A2CYP2A6TAAR1GFERCYP19A1
SCHEMBL16356150 0.85 CYP1A2 (0.43) CYP1A2CYP2A6TAAR1GFERCYP19A1
SCHEMBL10890416 0.82 CASP1 (0.46) GFERCYP19A1CASP1MAOAMAOB
SCHEMBL4810025 0.81 ESR1 (0.52) TAAR1GFERCYP19A1CASP1MAOA
SCHEMBL4810383 0.81 MAOB (0.59) CYP1A2CYP2A6TAAR1GFERCYP19A1
SCHEMBL3251668 0.81 CYP19A1 (0.57) TAAR1CYP19A1MAOB
SCHEMBL14193174 0.81 ALDH1A1 (0.48) GFERCYP19A1MAOAMAOBMEN1
Hydrochloric Acid SCHEMBL3244731 0.80 BLM (0.52) TAAR1GFERCYP19A1CASP1MAOA
Hydrochloric Acid SCHEMBL3249498 0.80 CYP19A1 (0.56) TAAR1CYP19A1MAOBRAB9A

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 10 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
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 — — US 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
EP-1685091-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS Wella Aktiengesellschaft (DE) 2006-08-02 — — EP disclosed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 — — US disclosed
WO-2005051889-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 2005-06-09 — — 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-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants DDT, NQO1, MDH2 CYP1A2 359/4885CYP2A6 454/4885TAAR1 1637/4885

“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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