SCHEMBL3875295

SCHEMBL3875295

Nc1ccc(N(CCO)CCO)c2c1sc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 3/20 0.33
APP P05067 3/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
KMT2A Q03164 2/20 0.32
RAB9A P51151 2/20 0.32
CYP3A4 P08684 2/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL3880854 0.89 LIMK1 (0.36) LIMK1CDK5CDK5R1SMN1; SMN2MAPT
SCHEMBL3878200 0.88 ALDH1A1 (0.35) LIMK1SMN1; SMN2MAPTAPPKMT2A
SCHEMBL3877959 0.86 ALDH1A1 (0.37) LIMK1CDK5CDK5R1SMN1; SMN2MAPT
SCHEMBL3885302 0.79 ALDH1A1 (0.36) LIMK1CDK5CDK5R1SMN1; SMN2MAPT
SCHEMBL3873535 0.78 ALDH1A1 (0.37) LIMK1CDK5CDK5R1SMN1; SMN2MAPT
SCHEMBL3874925 0.78 ALDH1A1 (0.35) LIMK1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL3876701 0.76 ALDH1A1 (0.36) LIMK1CDK5CDK5R1SMN1; SMN2MAPT
SCHEMBL3882237 0.75 GPR3 (0.46) LIMK1CDK5CDK5R1SMN1; SMN2MAPT
SCHEMBL3874664 0.75 CHEK1 (0.33) LIMK1MAPTAPPRAB9ALMNA
SCHEMBL3876524 0.74 IDO1 (0.48) LIMK1CDK5CDK5R1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 LIMK1 3428/4885CDK5 847/4885CDK5R1 1823/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 LIMK1 3428/4885CDK5 847/4885CDK5R1 1823/4885

“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.