SCHEMBL14596281

SCHEMBL14596281

CCN(CCNc1ccc(N)cc1)CCNc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
ACHE P22303 2/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 2/20 0.49
PMP22 Q01453 1/20 0.49
APP P05067 1/20 0.42
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.41
IDO1 P14902 1/20 0.41
LTK P29376 1/20 0.41
LIMK1 P53667 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL4006637 0.96 ALDH1A1 (0.54) TSHRALDH1A1LMNAMAPK1ACHE
SCHEMBL2447178 0.85 ACHE (0.47) TSHRALDH1A1LMNAMAPK1ACHE
SCHEMBL11692138 0.80 DRD4 (0.52) ALDH1A1ACHECHEK1PIM1IDO1
SCHEMBL5157848 0.80 APP (0.44) TSHRALDH1A1LMNAMAPK1ACHE
SCHEMBL6318640 0.80 HRH3 (0.46) ALDH1A1LMNAMAPK1ACHECYP2C19
SCHEMBL13050090 0.80 LMNA (0.40) TSHRALDH1A1LMNAMAPK1ACHE
SCHEMBL458849 0.79 APP (0.41) TSHRALDH1A1LMNAMAPK1ACHE
SCHEMBL11048207 0.79 LMNA (0.42) TSHRALDH1A1LMNAMAPK1ACHE
Hydrochloric Acid SCHEMBL5456304 0.78 APP (0.43) ALDH1A1LMNAMAPK1CYP2C19BLM
SCHEMBL9364512 0.78 MAPT (0.61) ALDH1A1CHEK1PIM1IDO1LTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739079-A1 Novel bis-para-phenylendiamins joined by a linker arm comprising a sulphur or nitrogen atom and their use in dyeing L'OREAL (FR) 2007-01-03 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 (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-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers KRT18, DSP, CDC73 TSHR 4856/4885ALDH1A1 798/4885LMNA 2564/4885

“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.