SCHEMBL3874443

SCHEMBL3874443

Cc1cc(N)c2sc3ccccc3c2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
MAPT P10636 8/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HCRTR1 O43613 1/20 0.49
PTPN1 P18031 1/20 0.42
HTT P42858 1/20 0.40
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
IDE P14735 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL3877515 0.88 PKM (0.53) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL3882583 0.84 ALDH1A1 (0.44) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL3887852 0.78 ALDH1A1 (0.41) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL3887742 0.76 ALDH1A1 (0.47) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL3875198 0.75 MAPT (0.46) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL3876524 0.75 IDO1 (0.48) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL27673142 0.75 MAPT (0.40) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL8103104 0.74 MAPT (0.65) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3882237 0.72 GPR3 (0.46) MAPTALDH1A1MEN1KMT2APTPN1
SCHEMBL27854580 0.72 PTPN1 (0.46) MAPTALDH1A1MEN1KMT2APOLB

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 PKM 185/4885MAPT 420/4885ALDH1A1 660/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PKM 185/4885MAPT 420/4885ALDH1A1 660/4885

“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.