SCHEMBL3881301

SCHEMBL3881301

Nc1ccc2c(c1)sc1cc(N3CCCC3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 3/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
THRB P10828 2/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL3878347 0.83 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL204571 0.78 MAPT (0.78) MAPTALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL30785527 0.78 MAPT (0.78) MAPTALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL30267589 0.78 MAPT (0.78) MAPTALDH1A1SMN1; SMN2RAB9AHPGD
Hydrochloric Acid SCHEMBL7056525 0.75 MAPT (0.75) MAPTALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL18965676 0.73 MAPT (0.72) MAPTALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL3877522 0.73 ERCC1 (0.54) MAPTALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL3874471 0.73 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL30893007 0.73 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL3873051 0.72 MAPT (0.49) MAPTALDH1A1SMN1; SMN2RAB9AL3MBTL1

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 MAPT 420/4885ALDH1A1 660/4885SMN1; SMN2 4772/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885ALDH1A1 660/4885SMN1; SMN2 4772/4885

“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.