SCHEMBL12876152

SCHEMBL12876152

Cc1cccc(-c2nc(CO)c(CF)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 4/20 0.42
▸ FFAR1 O14842 2/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ TRPM8 Q7Z2W7 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ DCK P27707 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
SCHEMBL12875849 0.87 DCK (0.46) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL12875931 0.82 ALDH1A1 (0.46) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL1198661 0.81 MEN1 (0.49) MAPTMEN1ALDH1A1KMT2APPARD
SCHEMBL12875870 0.80 ALDH1A1 (0.44) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL12875924 0.80 LMNA (0.54) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL12875949 0.76 PPARG (0.41) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL12876157 0.75 KLKB1 (0.43) MAPTALDH1A1LMNAFFAR1PPARD
SCHEMBL1436666 0.74 PPARG (0.48) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL13801071 0.73 ADORA3 (0.59) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL12876150 0.72 FFAR1 (0.36) MAPTMEN1ALDH1A1KMT2ALMNA

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 MAPT 4667/4885MEN1 2661/4885ALDH1A1 1037/4885

“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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