SCHEMBL12240393

SCHEMBL12240393

c1cc(N2CCCCC2)ncc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CNR2 P34972 10/20 0.46
▸ UBE2T Q9NPD8 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ CNR1 P21554 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL30932095 0.95 CHRNA7 (0.48) CHRNA7MAPTALDH1A1LMNAALOX12
Cyanide SCHEMBL27694903 0.90 PANK3 (0.45) CHRNA7MAPTALDH1A1LMNAALOX12
Hydrochloric Acid SCHEMBL25318678 0.85 CHRNA7 (0.45) CHRNA7MAPTALDH1A1LMNAALOX12
Hydrochloric Acid SCHEMBL30476651 0.85 CHRNA7 (0.45) CHRNA7MAPTALDH1A1LMNAALOX12
Hydrochloric Acid SCHEMBL27676371 0.84 CHRNA7 (0.47) CHRNA7MAPTALDH1A1LMNAALOX12
SCHEMBL2365777 0.83 DDB1 (0.49) ALDH1A1KDM4EHTTKMT2ASMN1; SMN2
SCHEMBL29067295 0.82 FASN (0.46) CHRNA7MAPTALDH1A1LMNAALOX12
SCHEMBL28209012 0.80 HPGDS (0.42) CHRNA7MAPTALDH1A1CNR2UBE2T
SCHEMBL27848381 0.79 PANK3 (0.43) CHRNA7MAPTLMNACNR2KDM4E
SCHEMBL27848379 0.79 PANK3 (0.54) ALDH1A1LMNAKDM4EGLAHTT

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-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 — — US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 — — 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-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 CHRNA7 4832/4885MAPT 3728/4885ALDH1A1 598/4885

“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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