SCHEMBL23996033

SCHEMBL23996033

COc1cccc(/C=N/NC(N)N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.60
▸ TAAR1 Q96RJ0 1/20 0.54
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ PKM P14618 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ G6PC1 P35575 1/20 0.46

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
SCHEMBL25731885 0.82 CHRM5 (0.66) CHRM5TAAR1NPC1RAB9AMAPT
SCHEMBL25731888 0.80 CHRM5 (0.68) CHRM5TAAR1NPC1RAB9AMAPT
SCHEMBL23996044 0.79 GFER (0.58) NPC1RAB9AMAPTALDH1A1NPSR1
SCHEMBL27885399 0.76 CHRM5 (0.72) CHRM5TAAR1NPC1RAB9AALDH1A1
SCHEMBL31182402 0.76 CHRM5 (0.72) CHRM5TAAR1NPC1RAB9AALDH1A1
SCHEMBL14950238 0.76 CHRM5 (0.72) CHRM5TAAR1NPC1RAB9AALDH1A1
SCHEMBL23732607 0.76 CHRM5 (0.62) CHRM5TAAR1NPC1RAB9AMAPT
SCHEMBL7747064 0.76 TAAR1 (0.58) CHRM5TAAR1NPC1RAB9AMAPT
SCHEMBL17560805 0.76 NPC1 (0.65) CHRM5TAAR1NPC1RAB9AMAPT
SCHEMBL7747066 0.76 TAAR1 (0.58) CHRM5TAAR1NPC1RAB9AMAPT

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-11166464-B2 Self-assembled active agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-11-09 — — 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-11166464-B2 Self-assembled active agents PCNA, POLM, MUS81 CHRM5 4294/4885TAAR1 3783/4885NPC1 4808/4885

“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.

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