SCHEMBL12829850

SCHEMBL12829850

N#C/C(=C\c1ccccc1)C(=O)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.47
▸ MAPT P10636 8/20 0.43
▸ EGFR P00533 2/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ S100A4 P26447 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ PLIN1 O60240 1/20 0.42
▸ PLIN5 Q00G26 1/20 0.42
▸ ABHD5 Q8WTS1 1/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ PTPN12 Q05209 1/20 0.42
▸ PTPN22 Q9Y2R2 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
SCHEMBL12830005 0.85 TAS2R14 (0.50) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL12756705 0.84 ANO1 (0.38) MAPTEGFR
SCHEMBL1952059 0.81 ANO1 (0.55) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1952057 0.81 ANO1 (0.55) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL12830151 0.77 TRPA1 (0.56) LMNAMAPTEGFRALDH1A1KDM4E
SCHEMBL12829851 0.75 ANO1 (0.40) MEN1KMT2A
SCHEMBL12756545 0.75 ANO1 (0.49) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL12756706 0.73 TRPM8 (0.38) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL12756892 0.73 ANO1 (0.46) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL12756710 0.73 VCP (0.48) MEN1KMT2APOLB

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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — 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 (2 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885MAPT 1478/4885EGFR 4684/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885MAPT 1478/4885EGFR 4684/4885

“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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