SCHEMBL20175321

SCHEMBL20175321

CCCCN1CCOc2cc(N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.40
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
NOS3 P29474 4/20 0.39
NOS1 P29475 4/20 0.39
NOS2 P35228 3/20 0.38
AR P10275 1/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
RAD52 P43351 2/20 0.35
GFER P55789 1/20 0.35
KCNH2 Q12809 1/20 0.34
NPY5R Q15761 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
SCHEMBL5517360 0.91 AR (0.44) RENHTR1ASLC6A4NOS3NOS1
SCHEMBL17525511 0.86 NOS3 (0.39) RENHTR1ASLC6A4NOS3NOS1
SCHEMBL5516550 0.85 NR3C1 (0.41) NOS3NOS1NOS2ARMAPT
SCHEMBL17859629 0.85 HTR1A (0.37) RENHTR1ASLC6A4NOS3NOS1
SCHEMBL17525514 0.85 REN (0.52) RENHTR1ASLC6A4NOS3NOS1
SCHEMBL17525515 0.85 NOS3 (0.47) RENHTR1ASLC6A4NOS3NOS1
SCHEMBL17525479 0.84 NOS3 (0.38) RENHTR1ASLC6A4NOS3NOS1
SCHEMBL282767 0.84 HTR1A (0.49) RENHTR1ASLC6A4NOS3NOS1
SCHEMBL17525510 0.83 NOS3 (0.47) RENHTR1ASLC6A4NOS3NOS1
SCHEMBL17525480 0.83 NOS3 (0.38) RENHTR1ASLC6A4NOS3NOS1

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 1 patent. 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

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 REN 317/4885HTR1A 802/4885SLC6A4 2280/4885

“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.