SCHEMBL4299799

SCHEMBL4299799

O=C(O)NCc1cc(Cl)ccc1N1CCOC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.44
NAAA Q02083 4/20 0.43
IDH1 O75874 2/20 0.40
EPHX2 P34913 2/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
AKR1C3 P42330 1/20 0.38
F10 P00742 1/20 0.38
P2RX7 Q99572 2/20 0.37
CMA1 P23946 1/20 0.37
PKM P14618 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
MAPK8 P45983 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
SCHEMBL4306128 0.79 MAPT (0.47) SETDB1P2RX7
Hydrochloric Acid SCHEMBL1019729 0.78 NAAA (0.42) NAAAIDH1FPR1FPR2AKR1C3
SCHEMBL1263239 0.77 NAAA (0.40) NAAAIDH1FPR1FPR2AKR1C3
SCHEMBL23486784 0.74 FPR1 (0.42) FPR1FPR2PKM
SCHEMBL29758148 0.73 KMT2A (0.53) NAAAIDH1FPR1FPR2
SCHEMBL29758149 0.73 KMT2A (0.53) NAAAIDH1FPR1FPR2
SCHEMBL23466566 0.73 KMT2A (0.53) NAAAIDH1FPR1FPR2
SCHEMBL4223320 0.72 HTR1A (0.46) NAAA
SCHEMBL12397945 0.70 ADRA1D (0.57)
SCHEMBL20957065 0.70 NOS2 (0.43) SETDB1EPHX2P2RX7

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
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
US-8481569-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-09 US disclosed
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 SETDB1 2383/4885NAAA 4061/4885IDH1 1075/4885

“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.