SCHEMBL23922832

SCHEMBL23922832

[N-]=[N+]=NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.47
CETP P11597 5/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
DAO P14920 1/20 0.44
MAPK14 Q16539 1/20 0.41
PDE2A O00408 1/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
CNR1 P21554 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL31286285 1.00 GRIN2B (0.47) GRIN2BCETPCHRM2CHRM1CHRM3
SCHEMBL20764669 0.85 CHRM2 (0.47) GRIN2BCETPCHRM2CHRM1CHRM3
SCHEMBL23070456 0.81 PDE2A (0.49) GRIN2BPDE2A
SCHEMBL16401448 0.80 TAAR1 (0.50) GRIN2BCHRM2CHRM1CHRM3
SCHEMBL13667974 0.80 GRIN2B (0.49) GRIN2BCETPCHRM2CHRM1CHRM3
SCHEMBL30394051 0.80 TAAR1 (0.50) GRIN2BCHRM2CHRM1CHRM3
SCHEMBL15095446 0.79 AURKA (0.51)
SCHEMBL13702623 0.79 ALDH1A1 (0.47) CETP
SCHEMBL13887515 0.78 GRIN2D (0.43) GRIN2B
SCHEMBL14570167 0.77 TP53 (0.46) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 US disclosed
EP-3896062-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-10-20 EP disclosed
CN-1312136-C Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2007-04-25 CN disclosed
CN-1646502-A Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2005-07-27 CN 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-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 GRIN2B 1113/4885CETP 2617/4885CHRM2 1779/4885

“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.