SCHEMBL3487770

SCHEMBL3487770

CNC(=O)c1cc(Cl)cc(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
XBP1 P17861 1/20 0.53
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 4/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46

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
SCHEMBL27908270 0.90 CA12 (0.56) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL67540 0.88 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3786661 0.88 HDAC8 (0.50) ALDH1A1HPGDHTTSMN1; SMN2KDM4E
SCHEMBL588343 0.84 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL1003995 0.84 TPMT (0.52) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL2059308 0.83 CA12 (0.70) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL29730823 0.81 NOTUM (0.56) ALDH1A1MAPTHPGDCA12CA1
SCHEMBL2367491 0.81 CA12 (0.47) ALDH1A1MAPTHPGDCA12CA1
SCHEMBL16410313 0.81 NOTUM (0.56) ALDH1A1MAPTHPGDCA12CA1
SCHEMBL16961231 0.81 ALDH1A1 (0.56) ALDH1A1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470859-B2 Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
EP-2535330-A2 Iminopyridine derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2012-12-19 EP disclosed
US-20100016315-A1 Iminopyridine Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2077262-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-08 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-20100016315-A1 Iminopyridine Derivative and Use Thereof ADRA1D, ADRB1, ADRB2 ALDH1A1 49/4885MAPT 2141/4885HPGD 320/4885

“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.