SCHEMBL17434129

SCHEMBL17434129

N#Cc1ccc(NC(=O)COCC(=O)O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.48
RORC P51449 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AR P10275 2/20 0.43

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
SCHEMBL17434515 0.82 ALDH1A1 (0.54) IDO1ALDH1A1LMNAGAAKMT2A
SCHEMBL18677472 0.80 ALDH1A1 (0.57) IDO1ALDH1A1LMNAGAAKMT2A
SCHEMBL12354889 0.79 ALDH1A1 (0.56) IDO1ALDH1A1LMNAGAAKMT2A
SCHEMBL16722682 0.78 IDO1 (0.60) IDO1ALDH1A1LMNAGAAKMT2A
SCHEMBL13401640 0.77 KMT2A (0.56) ALDH1A1LMNAGAAKMT2ARORC
SCHEMBL17434565 0.77 ALDH1A1 (0.52) IDO1ALDH1A1LMNAGAAKMT2A
SCHEMBL15899329 0.77 RORC (0.66) IDO1ALDH1A1LMNAGAAKMT2A
SCHEMBL20941563 0.77 ALDH1A1 (0.54) IDO1ALDH1A1LMNAGAAKMT2A
SCHEMBL307278 0.77 IDO1 (0.62) IDO1ALDH1A1LMNAGAAKMT2A
SCHEMBL1798542 0.76 KDM4E (0.51) ALDH1A1LMNAGAAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA IDO1 316/4885ALDH1A1 312/4885LMNA 4161/4885

“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.