SCHEMBL3245188

SCHEMBL3245188

Nc1ccc(CCc2ccccc2O)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.57
▸ IDO1 P14902 2/20 0.46
▸ HSPA5 P11021 1/20 0.43
▸ MPO P05164 2/20 0.42
▸ TYR P14679 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39

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 0.82 CASP1 (0.46) TYRPRKCITSHRALOX15
SCHEMBL4810383 0.77 MAOB (0.59) TAAR1CYP2D6
SCHEMBL1222973 0.77 TAAR1 (0.71) TAAR1IDO1HSPA5MPOTSHR
SCHEMBL29706272 0.77 TAAR1 (0.71) TAAR1IDO1HSPA5MPOTSHR
SCHEMBL29262424 0.76 MAOA (0.63) TAAR1IDO1HSPA5MPO
SCHEMBL3245522 0.76 TYR (0.41) TAAR1TYRPRKCIALOX15HTR1A
Hydrochloric Acid SCHEMBL3251098 0.76 MAOB (0.61) TAAR1TSHRCYP2D6
SCHEMBL13356330 0.75 DAO (0.44) TSHRSLC6A4CYP2D6CTDSP1
SCHEMBL19511210 0.75 MAPT (0.54) TAAR1ALOX15HIF1A
SCHEMBL29706378 0.75 TAAR1 (0.68) TAAR1IDO1HSPA5MPOTSHR

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 6 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
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 TAAR1 1637/4885IDO1 700/4885HSPA5 1560/4885

“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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