SCHEMBL3874860

SCHEMBL3874860

CCNc1ccc2c(c1)sc1cc(N)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MMP12 P39900 2/20 0.39
▸ AR P10275 2/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ EGFR P00533 3/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 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
SCHEMBL3879229 0.83 NOX4 (0.43) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL3875263 0.81 ALDH1A1 (0.49) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL3875015 0.81 ALDH1A1 (0.49) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL30785527 0.78 MAPT (0.78) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL30267589 0.78 MAPT (0.78) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL204571 0.78 MAPT (0.78) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7056525 0.75 MAPT (0.75) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL18965676 0.73 MAPT (0.72) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL3885375 0.73 ALDH1A1 (0.54) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL3872878 0.73 AR (0.50) ALDH1A1HPGDKDM4EPOLBCASP1

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 660/4885HPGD 290/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885HPGD 290/4885MAPT 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.

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