SCHEMBL3875487

SCHEMBL3875487

Nc1ccc(NCCO)c2[nH]c3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.46
KDM4E B2RXH2 3/20 0.40
UTS2R Q9UKP6 2/20 0.39
CHEK1 O14757 2/20 0.37
POLB P06746 2/20 0.37
CDK1 P06493 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EIF2AK2 P19525 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL3880609 0.92 KDM4E (0.49) TERTKDM4EUTS2RPOLBALDH1A1
SCHEMBL3939075 0.89 TERT (0.46) TERTKDM4EUTS2RCHEK1POLB
SCHEMBL3881403 0.83 UTS2R (0.46) UTS2RCHEK1POLBCDK1TDP1
SCHEMBL3877146 0.81 KDM4E (0.49) TERTKDM4EUTS2RPOLBTDP1
SCHEMBL3874903 0.80 TERT (0.43) TERTKDM4EUTS2RPOLBEIF2AK2
SCHEMBL3887714 0.76 NPSR1 (0.41) KDM4EPOLBTDP1ALDH1A1HPGD
SCHEMBL3874451 0.76 TERT (0.43) TERTKDM4EUTS2RPOLBEIF2AK2
SCHEMBL3884370 0.76 UTS2R (0.53) KDM4EUTS2RALDH1A1MEN1MAPT
SCHEMBL3873502 0.75 POLB (0.55) CHEK1POLBCDK1TDP1ALDH1A1
SCHEMBL3874937 0.75 PNP (0.39) UTS2RCHEK1POLBTDP1GABRP

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 6 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
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 TERT 608/4885KDM4E 1549/4885UTS2R 3676/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 TERT 608/4885KDM4E 1549/4885UTS2R 3676/4885

“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.