SCHEMBL3876518

SCHEMBL3876518

Nc1ccc2c3ccc(N)cc3n(CCO)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HTT P42858 2/20 0.47
ASH1L Q9NR48 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HBB P68871 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
MAT2A P31153 1/20 0.36
LMNA P02545 1/20 0.34
PARP1 P09874 1/20 0.34
TTR P02766 1/20 0.34

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
SCHEMBL3874418 0.91 KDM4E (0.42) KDM4EHTTASH1LMAPTALDH1A1
SCHEMBL3878954 0.91 KDM4E (0.53) KDM4EHTTASH1LMAPTALDH1A1
SCHEMBL27653141 0.86 KDM4E (0.48) KDM4EHTTASH1LALDH1A1KMT2A
SCHEMBL27653144 0.81 KDM4E (0.47) KDM4EHTTASH1LMAPTALDH1A1
SCHEMBL30716979 0.80 KDM4E (0.66) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL11752260 0.80 KDM4E (0.66) KDM4EHTTMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1128721 0.79 KDM4E (0.64) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL3879194 0.78 GAA (0.47) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL19911124 0.77 ALDH1A1 (0.45) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL15836975 0.76 MAPT (0.40) HTTMAPTALDH1A1KMT2AMEN1

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 1549/4885HTT 3227/4885ASH1L 2951/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885HTT 3227/4885ASH1L 2951/4885

“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.