SCHEMBL3874491

SCHEMBL3874491

Cn1c2ccccc2c2c(O)cc(N)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
MAPT P10636 5/20 0.47
HTT P42858 3/20 0.47
PABPC1 P11940 1/20 0.45
TOP2A P11388 2/20 0.42
KDM1A O60341 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TLR9 Q9NR96 1/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40

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
SCHEMBL27653212 0.83 MAPT (0.46) GPR3MAPTHTTPABPC1TOP2A
SCHEMBL3874038 0.83 GPR3 (0.52) GPR3MAPTHTTPABPC1TOP2A
SCHEMBL3877115 0.83 GPR3 (0.52) GPR3MAPTHTTPABPC1TOP2A
SCHEMBL3876539 0.82 TSHR (0.37) MAPTHTTALDH1A1HSD17B10
SCHEMBL27653208 0.79 RET (0.50) GPR3MAPTHTTPABPC1TOP2A
SCHEMBL22499353 0.79 GPR3 (0.47) GPR3MAPTHTTTOP2AKDM1A
SCHEMBL3876445 0.78 MAPT (0.47) MAPTHTTKDM4EMEN1KMT2A
SCHEMBL2098721 0.77 MAPT (0.74) GPR3MAPTHTTTOP2AKDM4E
SCHEMBL3875323 0.77 GPR3 (0.48) GPR3MAPTHTTPABPC1KDM4E
SCHEMBL3876246 0.77 PABPC1 (0.49) GPR3MAPTHTTPABPC1TOP2A

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-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 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 GPR3 4420/4885MAPT 420/4885HTT 3227/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 GPR3 4420/4885MAPT 420/4885HTT 3227/4885

“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.