SCHEMBL25407181

SCHEMBL25407181

CC(C)[Si](OCc1ccc([N+](=O)[O-])c(N[C@@H]2CCCCN(C(=O)O)C2)c1)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HCAR3 P49019 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 4/20 0.35
▸ CYP2C9 P11712 4/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ SERPINE1 P05121 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DCTPP1 Q9H773 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HTT P42858 2/20 0.35

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
SCHEMBL25407187 1.00 MAPT (0.40) MAPTMAPK1HCAR3ALDH1A1LMNA
SCHEMBL30528198 0.89 USP30 (0.39) MAPTMAPK1ALDH1A1LMNAPOLB
SCHEMBL25404464 0.86 GFER (0.36) —
SCHEMBL25404455 0.86 GFER (0.36) —
SCHEMBL571673 0.81 SERPINE1 (0.46) MAPTMAPK1HCAR3ALDH1A1CYP1A2
SCHEMBL571672 0.81 SERPINE1 (0.46) MAPTMAPK1HCAR3ALDH1A1CYP1A2
SCHEMBL572284 0.78 MAPT (0.43) MAPTMAPK1HCAR3ALDH1A1CYP1A2
SCHEMBL572283 0.78 MAPT (0.43) MAPTMAPK1HCAR3ALDH1A1CYP1A2
SCHEMBL22638389 0.78 KMT2A (0.46) MAPTMAPK1HCAR3
SCHEMBL22638386 0.78 KMT2A (0.46) MAPTMAPK1HCAR3

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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 — — 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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 MAPT 3682/4885MAPK1 465/4885HCAR3 2338/4885

“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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