SCHEMBL3872864

SCHEMBL3872864

Nc1c(O)ccc2sc3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
IKBKB O14920 1/20 0.43
LIMK1 P53667 1/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
DUSP3 P51452 1/20 0.41
BLM P54132 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL21927857 0.86 MAOA (0.60) GPR3MAOAMAOBIKBKBLIMK1
SCHEMBL3873255 0.82 PIM1 (0.33) MAOAMAOBMAPTALDH1A1HPGD
SCHEMBL2932661 0.81 GPR3 (0.50) GPR3MAOAMAOBMAPTALDH1A1
SCHEMBL29945065 0.81 GPR3 (0.50) GPR3MAOAMAOBMAPTALDH1A1
SCHEMBL1503449 0.81 GPR3 (0.50) GPR3MAOAMAOBIKBKBLIMK1
Dibenzothiophene SCHEMBL7722649 0.79 GPR3 (0.54) GPR3MAOAMAOBMAPTALDH1A1
SCHEMBL24519122 0.78 GPR3 (0.46) GPR3MAOAMAOBMAPTALDH1A1
SCHEMBL3885467 0.78 GPR3 (0.46) GPR3MAOAMAOBIKBKBLIMK1
SCHEMBL1636538 0.77 GPR3 (0.68) GPR3MAOAMAOBIKBKBLIMK1
SCHEMBL2338956 0.76 GPR3 (0.54) GPR3MAOAMAOBMAPTALDH1A1

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 10 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-20240208991-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD (KR) 2024-06-27 US disclosed
WO-2023012711-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-02-09 WO disclosed
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 (3 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 GPR3 4420/4885MAOA 500/4885MAOB 1005/4885
US-20240208991-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CCNL2, UBE2L3 GPR3 1960/4885MAOA 1320/4885MAOB 1096/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 GPR3 4420/4885MAOA 500/4885MAOB 1005/4885

“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.