SCHEMBL3878064

SCHEMBL3878064

Nc1c(O)ccc2[nH]c3ccccc3c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.61
IMPDH1 P20839 1/20 0.61
CDK4 P11802 3/20 0.51
CCND1 P24385 3/20 0.51
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50

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
SCHEMBL3878230 0.82 IMPDH2 (0.39) IMPDH2IMPDH1CDK4CCND1ALDH1A1
SCHEMBL30392623 0.81 IMPDH2 (0.66) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL3878246 0.81 IMPDH2 (0.66) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL3874834 0.81 GABRP (0.53) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL3874790 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL29380761 0.77 ALDH1A1 (0.68) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL1635466 0.77 ALDH1A1 (0.68) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL151982 0.76 IMPDH2 (1.00) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL31780731 0.76 IMPDH2 (1.00) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL30700809 0.76 IMPDH2 (1.00) IMPDH2IMPDH1CDK4CCND1GABRP

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 IMPDH2 2923/4885IMPDH1 2771/4885CDK4 694/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 IMPDH2 2923/4885IMPDH1 2771/4885CDK4 694/4885

“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.