SCHEMBL3245522

SCHEMBL3245522

Nc1ccc(CCc2cc(O)c(O)c(O)c2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ DRD1 P21728 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ DRD5 P21918 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALOX15 P16050 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
SCHEMBL10890416 0.80 CASP1 (0.46) TYRKDM4EMAPTMAPK1RECQL
SCHEMBL4810025 0.80 ESR1 (0.52) TYRKDM4EADRA2ASLC6A2TDP1
Hydrochloric Acid SCHEMBL3244731 0.79 BLM (0.52) TYRKDM4EADRA2ASLC6A2TDP1
SCHEMBL3245188 0.76 TAAR1 (0.57) TYRHTR1ACYP2D6ALOX15HIF1A
SCHEMBL1048211 0.76 CASP1 (0.42) KDM4EMAPTMAPK1RECQLTDP1
SCHEMBL4810383 0.76 MAOB (0.59) KDM4EMAPTALDH1A1CYP2D6TAAR1
SCHEMBL3241812 0.74 TAAR1 (0.62) MAPK1ADRB2TAAR1LMNA
Hydrochloric Acid SCHEMBL3251098 0.74 MAOB (0.61) KDM4EMAPTMAPK1TDP1ALDH1A1
SCHEMBL3245628 0.73 CYP1A2 (0.50) ALOX15TAAR1GFERMEN1RAB9A
SCHEMBL14193175 0.73 LOXL2 (0.50) MAPTMAPK1ALDH1A1CYP2D6GFER

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 5 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
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 TYR 9/4885KDM4E 1811/4885MAPT 2944/4885

“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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