SCHEMBL3874487

SCHEMBL3874487

Nc1cc(O)c2sc3c(O)cc(N)cc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
THRB P10828 1/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTPN1 P18031 1/20 0.31
PLAU P00749 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL3874854 0.82
SCHEMBL3883602 0.74 CYP3A4 (0.39) MAPTALDH1A1CYP3A4ESR2
SCHEMBL3876535 0.74 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL632547 0.66 THRB (0.50) TSHRCASP1THRBMAPTALDH1A1
SCHEMBL11798878 0.66 CASP1 (0.43) TSHRCASP1THRBMAPTALDH1A1
SCHEMBL3882242 0.65 MAOA (0.35) TSHRCASP1THRBMAPTALDH1A1
SCHEMBL3875825 0.65 BACE1 (0.35) TSHRCASP1CTDSP1THRBMAPT
SCHEMBL3873419 0.65 CA12 (0.34) MAPTALDH1A1CA1CA2
SCHEMBL3886219 0.65 TSHR (0.34) TSHRCASP1CTDSP1THRBMAPT
Hydrochloric Acid SCHEMBL9242275 0.64 TSHR (0.42) TSHRCASP1THRBMAPTALDH1A1

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 TSHR 4709/4885CASP1 1707/4885CTDSP1 2897/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 TSHR 4709/4885CASP1 1707/4885CTDSP1 2897/4885

“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.