SCHEMBL3882678

SCHEMBL3882678

Nc1ccc2[nH]c3ccc(N)c(O)c3c2c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NEK1 Q96PY6 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ EP300 Q09472 1/20 0.30
▸ KAT2B Q92831 1/20 0.30
▸ KAT8 Q9H7Z6 1/20 0.30
▸ NCOR2 Q9Y618 1/20 0.30
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30

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
SCHEMBL3874790 0.82 IMPDH2 (0.56) IMPDH2IMPDH1CDK4CCND1HSD17B10
SCHEMBL3885262 0.74 PIM1 (0.43) IMPDH2IMPDH1CDK4CCND1ALOX15
SCHEMBL3885253 0.74 GABRP (0.31) —
SCHEMBL11774960 0.71 ALOX15 (0.45) CYP3A4ALOX15HSD17B10MMP2HDAC3
Lithium SCHEMBL31019597 0.68 ALOX15 (0.43) CYP3A4ALOX15HSD17B10MMP2HDAC3
SCHEMBL3875296 0.67 MAPT (0.44) CYP3A4ALOX15HSD17B10MMP2HDAC3
SCHEMBL10648824 0.66 PDE3B (0.44) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3873242 0.65 CYP3A4 (0.32) CYP3A4ALOX15HSD17B10MMP2HDAC3
SCHEMBL3874796 0.65 SRC (0.41) CYP3A4ALOX15HSD17B10MMP2HDAC3
SCHEMBL3879220 0.64 IMPDH2 (0.57) IMPDH2IMPDH1ALOX15HSD17B10

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.

Send feedback