SCHEMBL4856935

SCHEMBL4856935

CCN(CC)c1ccc2nc3ccc(N(CCO)CCO)cc3[o+]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.50
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
BLM P54132 3/20 0.41
NLRP3 Q96P20 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MAPT P10636 7/20 0.37
PSMD14 O00487 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL3899512 0.89 TERT (0.61) TERTKMT2AL3MBTL1MEN1NPC1
SCHEMBL29549001 0.89 TERT (0.61) TERTKMT2AL3MBTL1MEN1NPC1
SCHEMBL4861829 0.88 APP (0.42) TERTKMT2AL3MBTL1MEN1NPC1
Hydrochloric Acid SCHEMBL2854081 0.88 TERT (0.59) TERTKMT2AL3MBTL1MEN1NPC1
Hydrochloric Acid SCHEMBL31741233 0.88 TERT (0.59) TERTKMT2AL3MBTL1MEN1NPC1
Perchlorate SCHEMBL891055 0.86 TERT (0.54) TERTKMT2AL3MBTL1MEN1NPC1
Hydrochloric Acid SCHEMBL1259938 0.86 TERT (0.58) TERTKMT2AL3MBTL1MEN1NPC1
SCHEMBL10485747 0.75 ALDH1A1 (0.54) TERTKMT2AL3MBTL1MEN1NPC1
SCHEMBL15423130 0.73 TERT (0.74) TERTKMT2AL3MBTL1MEN1NPC1
SCHEMBL5114156 0.73 TERT (0.43) TERTKMT2AL3MBTL1MEN1NPC1

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-7326258-B2 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2008-02-05 US claimed
US-20050278872-A1 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2005-12-22 US claimed
EP-1607393-A1 Compositions comprising hydroalkylated direct dyestuffs, process for implementing and use L'OREAL (FR) 2005-12-21 EP claimed
US-7326258-B2 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2008-02-05 US disclosed
US-20050278872-A1 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2005-12-22 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-20050278872-A1 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof KRT18, DSG1, CUTA TERT 509/4885KMT2A 1522/4885L3MBTL1 4882/4885

“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.