SCHEMBL3885265

SCHEMBL3885265

Nc1cccc2c1c1c(N)cccc1n2CCO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SLC5A2 P31639 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDO2 P48775 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR8 Q9NR97 1/20 0.35
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
PARP1 P09874 2/20 0.33
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33

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
SCHEMBL3887963 0.91 TLR8 (0.38) TSHRSLC5A2ALDH1A1TDO2MAPT
SCHEMBL3877435 0.88 MEN1 (0.45) TSHRALDH1A1TDO2MAPTPOLB
SCHEMBL3881084 0.78 HTR2A (0.41) TSHRSLC5A2ALDH1A1TDO2MAPT
SCHEMBL3878220 0.76 WEE1 (0.38) TSHRALDH1A1TDO2MAPTPOLB
SCHEMBL3887845 0.74 WEE1 (0.38) TSHRTDO2MAPTPOLBATM
SCHEMBL3881172 0.74 MAPT (0.49) TSHRALDH1A1MAPTPOLBATM
SCHEMBL3874408 0.73 MAPT (0.48) TSHRALDH1A1MAPTPOLBATM
SCHEMBL3873275 0.72 KDM4E (0.37) TSHRALDH1A1MAPTPOLBATM
SCHEMBL3878062 0.72 POLB (0.43) TSHRALDH1A1MAPTPOLBATM
SCHEMBL20905569 0.72 CNR2 (0.37) TSHRSLC5A2ALDH1A1

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 TSHR 4709/4885SLC5A2 4774/4885ALDH1A1 660/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 TSHR 4709/4885SLC5A2 4774/4885ALDH1A1 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.