SCHEMBL4518271

SCHEMBL4518271

O=C(O)c1c(-c2ccc(Cl)cc2)ccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.49
DHODH Q02127 3/20 0.44
ANO1 Q5XXA6 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP4K4 O95819 2/20 0.42
AHR P35869 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.41
FYN P06241 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2224497 0.88 SMN1; SMN2 (0.46) KMODHODHSMN1; SMN2NPC1MAPT
SCHEMBL4514183 0.87 DHODH (0.46) KMODHODHSMN1; SMN2RAB9AKDM4E
SCHEMBL4520576 0.87 DHODH (0.48) DHODHSMN1; SMN2MAP4K4LMNA
SCHEMBL9155779 0.83 KMO (0.46) KMODHODHANO1SMN1; SMN2NPC1
SCHEMBL9157192 0.83 KMO (0.46) KMODHODHANO1SMN1; SMN2NPC1
SCHEMBL27463643 0.83 LOXL2 (0.43) DHODHSMN1; SMN2LMNA
SCHEMBL6772451 0.77 LMNA (0.42) DHODHSMN1; SMN2ALDH1A1TDP1MAP4K4
SCHEMBL4523605 0.75 KMO (0.51) KMODHODHMAP4K4FYN
SCHEMBL4520735 0.75 NOTUM (0.41) KMOSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL28143127 0.75 CDC7 (0.46) DHODHSMN1; SMN2CYP3A4LMNAFYN

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-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 KMO 1310/4885DHODH 2221/4885ANO1 2100/4885

“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.