SCHEMBL4420744

SCHEMBL4420744

Cn1c(N)c(Cl)c2c3cc(N4CCCC4)[nH]c3ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 4/20 0.40
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
JAK2 O60674 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALK Q9UM73 1/20 0.31
HSD17B10 Q99714 2/20 0.31
KIF11 P52732 1/20 0.31
PTGS2 P35354 1/20 0.31
EPHX2 P34913 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL4426166 0.72 HRH4 (0.32) ALDH1A1POLBHRH4
SCHEMBL4416709 0.70 MAP2K7 (0.37) MAP2K7ALDH1A1KMT2APOLBMEN1
SCHEMBL5041558 0.66 LMNA (0.45) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL4423402 0.66 MAP2K7 (0.34) MAP2K7ALDH1A1KMT2APOLBMEN1
SCHEMBL4423271 0.64 ALDH1A1 (0.34) MAP2K7ALDH1A1KMT2AMEN1LMNA
SCHEMBL5036775 0.60 LMNA (0.40) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL8087823 0.59 HRH3 (0.50) ALDH1A1POLBSMN1; SMN2HSD17B10KDM4E
SCHEMBL4423278 0.59 MAP2K7 (0.39) MAP2K7ALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL29684111 0.58 HRH3 (0.49) POLBLMNASMN1; SMN2HSD17B10KDM4E
SCHEMBL2940750 0.58 HRH3 (0.49) POLBLMNASMN1; SMN2HSD17B10KDM4E

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
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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 (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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAP2K7 2589/4885ALDH1A1 657/4885KMT2A 1797/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAP2K7 2589/4885ALDH1A1 657/4885KMT2A 1797/4885

“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.