SCHEMBL12875868

SCHEMBL12875868

CC(=O)OCc1nc(-c2cccc(C)c2)sc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.42
▸ FFAR1 O14842 2/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ PPARD Q03181 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 4/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ TRPM8 Q7Z2W7 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL1197533 0.84 MAPT (0.53) KMT2APPARDMEN1MAPTPPARG
SCHEMBL12875870 0.80 ALDH1A1 (0.44) KMT2AMEN1MAPTPPARGPPARA
SCHEMBL12875867 0.75 TP53 (0.55) MAPTALDH1A1NPC1GAARAB9A
SCHEMBL12875874 0.73 RARA (0.41) KMT2AMEN1MAPTTRPM8LMNA
SCHEMBL16604307 0.72 F2RL3 (0.49) KMT2AMEN1MAPTPPARGPPARA
SCHEMBL12875878 0.71 KLKB1 (0.40) ELANEKMT2AMEN1MAPTTRPM8
SCHEMBL29782929 0.71 KMT2A (0.74) FFAR1KMT2AMEN1MAPTTRPM8
SCHEMBL28836012 0.71 KMT2A (0.74) FFAR1KMT2AMEN1MAPTTRPM8
SCHEMBL12875931 0.69 ALDH1A1 (0.46) KMT2AMEN1MAPTPPARGPPARA
SCHEMBL13801071 0.69 ADORA3 (0.59) KMT2AMEN1MAPTADORA3TRPM8

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A ELANE 3574/4885FFAR1 1382/4885KMT2A 3197/4885

“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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