SCHEMBL18153040

SCHEMBL18153040

CCC(=O)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.51
SMYD3 Q9H7B4 2/20 0.51
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
CRBN Q96SW2 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
NR3C1 P04150 1/20 0.42
NR3C2 P08235 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AOC3 Q16853 1/20 0.41

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
SCHEMBL5460664 0.88 CRBN (0.53) SMYD3MAPTRXFP1CRBNNPC1
SCHEMBL3605158 0.85 CA9 (0.51) CA9SMYD3MAPTMAOAMAOB
SCHEMBL2218590 0.83 CA9 (0.56) CA9SMYD3MAPTMAOAMAOB
SCHEMBL10836010 0.82 SMYD3 (0.49) CA9SMYD3MAPTMAOAMAOB
SCHEMBL3066386 0.81 SMYD3 (0.48) CA9SMYD3MAPTMAOAMAOB
SCHEMBL1144991 0.81 SMYD3 (0.59) CA9SMYD3MAPTMAOAMAOB
SCHEMBL9379920 0.81 CA9 (0.62) CA9SMYD3MAOAMAOBCRBN
Hydrochloric Acid SCHEMBL27785028 0.80 SMYD3 (0.58) CA9SMYD3MAPTMAOAMAOB
SCHEMBL3999947 0.79 CA9 (0.51) CA9SMYD3MAOAMAOBCRBN
SCHEMBL12663992 0.79 CA9 (0.51) CA9SMYD3MAOAMAOBCRBN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 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 (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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI CA9 640/4885SMYD3 3451/4885MAPT 3748/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI CA9 640/4885SMYD3 3451/4885MAPT 3748/4885

“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.