SCHEMBL4850573

SCHEMBL4850573

Nc1cc2sc3ccccc3c2cc1N.Nc1ccc2sc3ccc(O)cc3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 5/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
GPR3 P46089 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTPN1 P18031 1/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
ALOX15 P16050 2/20 0.35
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 3/20 0.35

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
SCHEMBL3879232 0.84 ALDH1A1 (0.47) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL3812478 0.82 GPR3 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL29474205 0.82 MAPT (0.77) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL3876429 0.82 ALDH1A1 (0.64) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL30559653 0.82 GPR3 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL24254901 0.82 MAPT (0.53) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5110289 0.82 MAPT (0.77) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL3878382 0.76 ALDH1A1 (0.56) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL3879729 0.76 ALDH1A1 (0.56) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL14174144 0.76 MAPT (0.92) MAPTALDH1A1RAB9ASMN1; SMN2HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
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 (1 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 660/4885RAB9A 4019/4885

“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.