SCHEMBL5680352

SCHEMBL5680352

Cc1cc(C=C[N+](=O)[O-])cc(C)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 14/20 0.42
▸ VCP P55072 4/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GALR2 O43603 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ ABL2 P42684 1/20 0.36

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
SCHEMBL5680349 1.00 FBP1 (0.42) FBP1VCPNPC1MTORRAB9A
SCHEMBL19306468 0.77 SRC (0.46) ALDH1A1
SCHEMBL19322017 0.70 MAPT (0.37) ALDH1A1LMNAMAPTNPSR1
SCHEMBL2025044 0.70 FBP1 (0.53) FBP1VCPALDH1A1EGFRLMNA
SCHEMBL2025043 0.70 FBP1 (0.53) FBP1VCPALDH1A1EGFRLMNA
SCHEMBL1716656 0.69 CA12 (0.33) RAB9AALDH1A1
SCHEMBL19317225 0.69 POLB (0.40) LMNAMAPTMAPK1
SCHEMBL18359522 0.68 ALOX5AP (0.37) ALDH1A1MAPK1
SCHEMBL7412213 0.67 FBP1 (0.67) FBP1VCPALDH1A1EGFRLMNA
SCHEMBL6061801 0.67 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1NPSR1

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-7084154-B2 2-(aminomethyl) arylamide analgesics PHARMACOPEIA DRUG DISCLOVERY, INC. (US) 2006-08-01 — — US disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 — — US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 — — 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-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 FBP1 3072/4885VCP 4632/4885NPC1 3475/4885

“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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