SCHEMBL3874357

SCHEMBL3874357

Cn1c2ccccc2c2c(NCc3ccco3)ccc(N)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
USP2 O75604 4/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 6/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 7/20 0.43
HPGD P15428 6/20 0.43
HSD17B10 Q99714 6/20 0.43
TSHR P16473 4/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
EED O75530 1/20 0.37

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
SCHEMBL3880354 0.81 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL3876526 0.81 LMNA (0.39) SMN1; SMN2USP2KDM4EMAPTALDH1A1
SCHEMBL3882088 0.79 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1KDM4EMAPTALDH1A1
SCHEMBL3884371 0.77 KDM4E (0.40) SMN1; SMN2USP2KDM4EMAPTALDH1A1
SCHEMBL3882245 0.76 KDM4E (0.38) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL3883079 0.75 NQO2 (0.47) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL3886270 0.72 RAB9A (0.45) SMN1; SMN2USP2KDM4EMAPTALDH1A1
SCHEMBL3879302 0.72 LMNA (0.51) SMN1; SMN2USP2MAPK1KDM4EMAPT
SCHEMBL3873231 0.72 KDM4E (0.55) USP2KDM4EMAPTALDH1A1HPGD
SCHEMBL3875137 0.71 NPSR1 (0.41) SMN1; SMN2USP2MAPK1KDM4EMAPT

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 SMN1; SMN2 4772/4885USP2 2586/4885MAPK1 2400/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 SMN1; SMN2 4772/4885USP2 2586/4885MAPK1 2400/4885

“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.