SCHEMBL12333545

SCHEMBL12333545

N#Cc1ccc(NCC=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NLRP3 Q96P20 1/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
IL18 Q14116 1/20 0.43
IDO1 P14902 3/20 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
SCHEMBL11300462 0.80 CA1 (0.50) SAE1UBA2MAPTLMNATSHR
SCHEMBL29072381 0.76 SAE1 (0.47) SAE1UBA2MAPTLMNATSHR
SCHEMBL16367907 0.76 CA1 (0.41) SAE1UBA2MAPTLMNATSHR
SCHEMBL29072383 0.76 SAE1 (0.47) SAE1UBA2MAPTLMNATSHR
SCHEMBL183353 0.74 ALDH1A1 (0.52) SAE1UBA2MAPTLMNATSHR
SCHEMBL18677358 0.73 MMP2 (0.40) SAE1UBA2MAPTLMNATSHR
SCHEMBL5516545 0.72 ALDH1A1 (0.44) SAE1UBA2MAPTCA1CA2
SCHEMBL7415060 0.72 CYP1A1 (0.47) MAPTTSHRCA1CA2CA12
SCHEMBL7746721 0.72 MAPT (0.56) MAPTLMNAHTTCA1CA2
SCHEMBL3524179 0.72 CA12 (0.33) CA1CA2CA12CA9

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
EP-2834224-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF MSN LAB LTD (IN) 2018-06-06 EP disclosed
US-20110224441-A1 METHOD FOR THE PREPARATION OF DABIGATRAN AND ITS INTERMEDIATES ZENTIVA K.S. (CZ) 2011-09-15 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-20110224441-A1 METHOD FOR THE PREPARATION OF DABIGATRAN AND ITS INTERMEDIATES VKORC1L1, VKORC1, CYP2C9 SAE1 3470/4885UBA2 2745/4885MAPT 4779/4885

“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.