SCHEMBL3876592

SCHEMBL3876592

Cn1c2c(N)c(N)ccc2c2ccc(N)c(N)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
ATM Q13315 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CD44 P16070 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
LMNA P02545 2/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3875043 0.82 ALKBH5 (0.55) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL3876786 0.76 GAA (0.37) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL3884372 0.76 PKM (0.32) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL3873543 0.73 KDM4E (0.32) ATMLMNAMAPTHTTKDM4E
SCHEMBL135806 0.71 CYP3A4 (0.43) MEN1KMT2ACD44LMNAHSP90AA1
SCHEMBL30884128 0.71 CYP3A4 (0.43) MEN1KMT2ACD44LMNAHSP90AA1
SCHEMBL1600172 0.68 MEN1 (0.44) MEN1KMT2AKEAP1NFE2L2CD44
SCHEMBL11075931 0.67 CYP3A4 (0.40) MEN1KMT2ACD44LMNAHSP90AA1
Hydrochloric Acid SCHEMBL3410713 0.67 CYP3A4 (0.40) MEN1KMT2ACD44LMNAHSP90AA1
Hydrochloric Acid SCHEMBL1198227 0.67 CYP3A4 (0.40) MEN1KMT2ACD44LMNAHSP90AA1

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 MEN1 4857/4885KMT2A 1681/4885USP2 2586/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MEN1 4857/4885KMT2A 1681/4885USP2 2586/4885

“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.