SCHEMBL3876965

SCHEMBL3876965

Nc1ccc(O)c2c1[nH]c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
CHEK1 O14757 4/20 0.53
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC3 O15379 1/20 0.47
IDO1 P14902 1/20 0.47
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL3873502 0.85 POLB (0.55) IMPDH2IMPDH1CHEK1POLBTDP1
SCHEMBL5830117 0.79 CHEK1 (0.56) IMPDH2IMPDH1CHEK1MEN1MAPT
SCHEMBL14198729 0.79 MEN1 (0.73) IMPDH2IMPDH1CHEK1POLBTDP1
SCHEMBL28481256 0.79 POLB (0.49) CHEK1POLBTDP1MEN1MAPT
SCHEMBL4901329 0.79 IMPDH2 (0.55) IMPDH2IMPDH1CHEK1MEN1MAPT
SCHEMBL3875407 0.76 EP300 (0.39) CHEK1POLBTDP1HDAC3IDO1
SCHEMBL3889086 0.76 IMPDH2 (0.51) IMPDH2IMPDH1CHEK1MEN1MAPT
SCHEMBL17950723 0.75 MAPT (0.59) POLBTDP1IDO1EP300KAT8
SCHEMBL3874032 0.73 PKM (0.53) IMPDH2IMPDH1POLBTDP1MEN1
SCHEMBL3881326 0.73 MEN1 (0.51) IMPDH2IMPDH1CHEK1MEN1MAPT

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 IMPDH2 2923/4885IMPDH1 2771/4885CHEK1 811/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 IMPDH2 2923/4885IMPDH1 2771/4885CHEK1 811/4885

“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.