SCHEMBL3874925

SCHEMBL3874925

NC(=O)NCCN(CCO)c1ccc(N)c2c1sc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 3/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 2/20 0.33
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
MAPT P10636 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL3878200 0.92 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL3880854 0.88 LIMK1 (0.36) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL3875295 0.78 LIMK1 (0.36) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL3875316 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EHTTKMT2AMAPT
SCHEMBL3876809 0.77 TERT (0.36) ALDH1A1KDM4ESMN1; SMN2KMT2ARAB9A
SCHEMBL3873535 0.76 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL3883612 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EHTTKMT2AMAPT
SCHEMBL3885442 0.74 TERT (0.36) ALDH1A1KDM4ESMN1; SMN2KMT2ARAB9A
SCHEMBL3880717 0.73 POLB (0.40) ALDH1A1KDM4ESMN1; SMN2KMT2ATP53
SCHEMBL3876210 0.69 APP (0.43) ALDH1A1KDM4ELMNAHTTSMN1; SMN2

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 ALDH1A1 660/4885KDM4E 1549/4885LMNA 448/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885KDM4E 1549/4885LMNA 448/4885

“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.