SCHEMBL4851735

SCHEMBL4851735

O=[N+]([O-])Nc1ccccc1NCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KAT2B Q92831 2/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
MAPK1 P28482 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL6156472 0.80 KDM4E (0.57) KDM4EGLAMAPTRECQLRAB9A
SCHEMBL29390623 0.79 KAT2B (0.66) KMT2AMAPTRAB9ATSHRTDP1
SCHEMBL110446 0.79 KAT2B (0.66) KMT2AMAPTRAB9ATSHRTDP1
Hydrochloric Acid SCHEMBL27635117 0.77 KAT2B (0.67) KMT2AMAPTRAB9ATSHRTDP1
SCHEMBL4619073 0.76 KAT2B (0.51) KDM4EGLAKMT2AMAPTRECQL
SCHEMBL197715 0.76 KDM4E (0.44) KDM4EGLAKMT2AMAPTRECQL
SCHEMBL4257954 0.76 CHEK1 (0.48) KDM4EKMT2AMAPTRAB9AALDH1A1
Hydrochloric Acid SCHEMBL5063788 0.75 KAT2B (0.54) KDM4EGLAKMT2AMAPTRECQL
Diethanolamine SCHEMBL198856 0.75 KAT2B (0.60) KMT2AMAPTRAB9ATSHRTDP1
SCHEMBL7882836 0.74 MAPT (0.41) KDM4EGLAKMT2AMAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7341604-B2 Highly affine cosmetic agent WELLA AG (DE) 2008-03-11 US disclosed
US-20060174423-A1 Highly affine cosmetic agent Wella GmbH (DE) 2006-08-10 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 (1 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-20060174423-A1 Highly affine cosmetic agent TYR, ENO1, CUTA KDM4E 2808/4885GLA 53/4885KMT2A 2102/4885

“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.