SCHEMBL17525482

SCHEMBL17525482

CC(CO)CN1CCOc2cc(N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.35
KMT2A Q03164 2/20 0.35
AR P10275 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NOS3 P29474 4/20 0.34
NOS1 P29475 4/20 0.34
NOS2 P35228 3/20 0.34
TSHR P16473 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL5515264 0.86 AR (0.45) NPY5RKMT2AARMAPTGAA
SCHEMBL11969208 0.79 NOS3 (0.40) NPY5RKMT2AMAPTGAAKDM4E
SCHEMBL29631754 0.79 NOS3 (0.40) NPY5RKMT2AMAPTGAAKDM4E
SCHEMBL5516550 0.79 NR3C1 (0.41) KMT2AARMAPTGAAKDM4E
SCHEMBL17859618 0.77 NOS3 (0.35) NPY5RMAPTGAAKDM4ENOS3
SCHEMBL17525511 0.77 NOS3 (0.39) NPY5RKMT2AMAPTGAAKDM4E
SCHEMBL22122425 0.76 CYP1A2 (0.42) KMT2AARMAPTHTR2AHTR2C
SCHEMBL5517360 0.76 AR (0.44) NPY5RKMT2AARMAPTGAA
SCHEMBL17859674 0.76 NOS3 (0.37) NPY5RKMT2AMAPTGAAKDM4E
SCHEMBL24630030 0.76 NR3C1 (0.39) KMT2AARMAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2018-05-24 US disclosed
US-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2018-05-24 US disclosed
WO-2016020490-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2016-02-11 WO 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-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING XDH, KRT18, CYC1 NPY5R 159/4885KMT2A 3343/4885AR 228/4885

“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.