SCHEMBL6273608

SCHEMBL6273608

CN1CCN(Cc2cc(N)ccc2N)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.61
LMNA P02545 1/20 0.59
ACHE P22303 2/20 0.50
MC4R P32245 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.42
RAD52 P43351 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2C P18825 2/20 0.42
CHRNA7 P36544 1/20 0.42
HTR6 P50406 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PTK2B Q14289 1/20 0.42
ESR2 Q92731 1/20 0.42
CA2 P00918 1/20 0.41

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 SCHEMBL6268461 0.98 NR1H2 (0.60) NR1H2LMNAACHEMC4RKDM4E
SCHEMBL7036220 0.91 ACHE (0.58) NR1H2LMNAACHEKDM4EALDH1A1
SCHEMBL18940353 0.85 NR1H2 (0.49) NR1H2LMNAKDM4EALDH1A1MAPT
SCHEMBL3396724 0.85 NR1H2 (0.60) NR1H2LMNAACHEMC4RKDM4E
SCHEMBL6271150 0.84 ACHE (0.69) NR1H2ACHEKDM4EALDH1A1TDP1
SCHEMBL4297559 0.83 LMNA (0.60) NR1H2LMNAACHEMC4RKDM4E
SCHEMBL14999719 0.83 NR1H2 (0.62) NR1H2LMNAACHEMC4RKDM4E
SCHEMBL22791815 0.83 ACHE (0.73) NR1H2LMNAACHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6273743 0.82 ACHE (0.70) NR1H2ACHEKDM4EALDH1A1TDP1
SCHEMBL18940359 0.82 NOS3 (0.47) NR1H2LMNAMC4RKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116711-B1 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds WELLA AG (DE) 2005-12-14 EP disclosed
US-6800097-B2 FOR DYEING KERATIN FIBERS; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-10-05 US disclosed
US-6780998-B2 DEVELOPER-COUPLER SUBSTANCE COMBINATION HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-04-17 US disclosed
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US disclosed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP 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 (2 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-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 NR1H2 4238/4885LMNA 3367/4885ACHE 3247/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC NR1H2 3946/4885LMNA 3052/4885ACHE 3333/4885

“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.