SCHEMBL3879229

SCHEMBL3879229

CCNc1ccc2sc3ccc(N)cc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 2/20 0.43
EGFR P00533 5/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 1/20 0.36
AR P10275 2/20 0.35
ADRA2A P08913 3/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
CASP7 P55210 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

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
SCHEMBL3874860 0.83 ALDH1A1 (0.51) NOX4EGFRMAPTALDH1A1HPGD
SCHEMBL3875392 0.81 NOX4 (0.42) NOX4EGFRMAPTALDH1A1HPGD
SCHEMBL350784 0.80 AR (0.50) ARKDM4EKMT2A
SCHEMBL30340804 0.78 MAPT (0.58) NOX4MAPTALDH1A1HPGDRAB9A
SCHEMBL3887754 0.78 MAPT (0.58) NOX4MAPTALDH1A1HPGDRAB9A
SCHEMBL3874932 0.77 KDM4E (0.45) EGFRMAPTALDH1A1HPGDRAB9A
SCHEMBL146408 0.71 ADRA2A (0.52) MAPTALDH1A1RAB9AADRA2AADRA2B
SCHEMBL3875263 0.71 ALDH1A1 (0.49) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL11710769 0.71 MAPT (0.47) NOX4EGFRMAPTALDH1A1HPGD
SCHEMBL31238914 0.70 MAPT (0.73) NOX4MAPTALDH1A1HPGDRAB9A

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 NOX4 87/4885EGFR 1697/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 NOX4 87/4885EGFR 1697/4885MAPT 420/4885

“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.