SCHEMBL6893764

SCHEMBL6893764

COC(=O)/C=C(/Nc1cc(F)ccc1F)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL31563510 0.89 NPC1 (0.50) MAPTHTTSMN1; SMN2POLBPKM
SCHEMBL31563093 0.87 MAPT (0.50) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31563030 0.84 ALDH1A1 (0.43) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31563118 0.83 MAPT (0.45) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL14921880 0.82 RAB9A (0.50) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31080641 0.81 KMT2A (0.48) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31552639 0.79 KCNMA1 (0.49) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4621411 0.79 ALDH1A1 (0.49) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4621414 0.79 ALDH1A1 (0.49) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31563055 0.78 RAB9A (0.35) MAPTMEN1KMT2AHTTSMN1; SMN2

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-9199939-B2 Quinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-12-01 — — US disclosed
US-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 — — US disclosed
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — 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-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 MAPT 432/4885MEN1 3277/4885KMT2A 1127/4885

“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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