SCHEMBL3884371

SCHEMBL3884371

Cn1c2ccccc2c2c(NCCO)ccc(N)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
NQO1 P15559 1/20 0.38
NQO2 P16083 1/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
HTT P42858 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
SCHEMBL3883079 0.92 NQO2 (0.47) KDM4EMAPTNQO1NQO2HSD17B10
SCHEMBL3878943 0.90 KDM4E (0.43) KDM4EMAPTNQO1NQO2HSD17B10
SCHEMBL3880354 0.86 KDM4E (0.44) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL3874398 0.86 NQO1 (0.38) KDM4EMAPTNQO1NQO2CYP2C19
SCHEMBL3882739 0.82 NQO2 (0.44) KDM4EMAPTNQO1NQO2HSD17B10
SCHEMBL3873761 0.80 IDO1 (0.38) KDM4EMAPTNQO1NQO2HSD17B10
SCHEMBL3881287 0.79 NQO2 (0.46) KDM4EMAPTNQO1NQO2HSD17B10
SCHEMBL3874255 0.79 KDM4E (0.43) KDM4EMAPTNQO2HSD17B10SMN1; SMN2
SCHEMBL3874357 0.77 SMN1; SMN2 (0.47) KDM4EMAPTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3882088 0.77 SMN1; SMN2 (0.47) KDM4EMAPTHSD17B10SMN1; SMN2ALDH1A1

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 KDM4E 1549/4885MAPT 420/4885NQO1 222/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885MAPT 420/4885NQO1 222/4885

“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.