SCHEMBL4810025

SCHEMBL4810025

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LTA4H P09960 1/20 0.48
▸ GFER P55789 1/20 0.46
▸ CYP19A1 P11511 2/20 0.44
▸ CA3 P07451 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
Hydrochloric Acid SCHEMBL3244731 0.98 BLM (0.52) ESR1ESR2ALDH1A1KDM4EHTR1A
SCHEMBL10890416 0.82 CASP1 (0.46) ALDH1A1KDM4EKMT2ATDP1GFER
SCHEMBL3245628 0.81 CYP1A2 (0.50) TAAR1KMT2AGFERCYP19A1ALOX15
SCHEMBL4810383 0.81 MAOB (0.59) ALDH1A1KDM4ECYP2C19TAAR1GFER
SCHEMBL3245522 0.80 TYR (0.41) ALDH1A1KDM4EHTR1AADRA2ASLC6A2
SCHEMBL901202 0.80 ESR1 (0.74) ESR1ESR2ALDH1A1KDM4EHTR1A
Hydrochloric Acid SCHEMBL3251098 0.79 MAOB (0.61) ALDH1A1KDM4ECYP2C19TAAR1TDP1
SCHEMBL14193178 0.79 MAOB (0.52) TAAR1TDP1GFERCYP19A1CYP3A4
SCHEMBL14193175 0.78 LOXL2 (0.50) ALDH1A1KMT2AGFERCYP19A1CYP3A4
SCHEMBL3251668 0.77 CYP19A1 (0.57) ALDH1A1TAAR1TDP1CYP19A1CYP3A4

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
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

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 ESR1 2468/4885ESR2 1872/4885ALDH1A1 25/4885

“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.

Send feedback