SCHEMBL4517574

SCHEMBL4517574

O=C1N(Cc2ccc(C(F)(F)F)cc2Cl)CCN1N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.47
ALDH1A1 P00352 8/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 1/20 0.39
DAO P14920 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4503707 0.88 P2RX7 (0.45) P2RX7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4503472 0.79 P2RX7 (0.45) P2RX7ALDH1A1MEN1KMT2ATSHR
SCHEMBL4507417 0.78 NPSR1 (0.47) P2RX7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4510108 0.75 ALDH1A1 (0.43) P2RX7ALDH1A1MEN1KMT2ATSHR
SCHEMBL4515061 0.71 NPSR1 (0.40) P2RX7ALDH1A1MEN1KMT2ATSHR
SCHEMBL8675453 0.71 ERCC1 (0.52) P2RX7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8672693 0.70 ALDH1A1 (0.54) P2RX7ALDH1A1KMT2ATSHRL3MBTL1
SCHEMBL4515953 0.69 CTSD (0.46) P2RX7ALDH1A1MEN1KMT2ATSHR
SCHEMBL4235827 0.68 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL4236352 0.67 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 P2RX7 3946/4885ALDH1A1 51/4885MEN1 1254/4885

“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.