SCHEMBL4518008

SCHEMBL4518008

O=C1C(Cc2c(Cl)cccc2Cl)CCN1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 4/20 0.46
KDM4E B2RXH2 1/20 0.45
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
RAD51 Q06609 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4514217 0.86 KMT2A (0.41) KDM4EKMT2AALDH1A1NPSR1HPGD
SCHEMBL1092613 0.85 KDM4E (0.33) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL1092616 0.85 KDM4E (0.33) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL1093208 0.80 PRKDC (0.42) KMT2AALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL1093210 0.80 PRKDC (0.42) KMT2AALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL4526228 0.79 HSD11B1 (0.48) CYP2A13KDM4EPIK3CAPIK3CBKMT2A
SCHEMBL1092779 0.77 DRD2 (0.32) KDM4EPIK3CAALDH1A1MAPT
SCHEMBL1092752 0.77 DRD2 (0.32) KDM4EPIK3CAALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL1093174 0.76 DPP4 (0.39)
Trifluoroacetic Acid SCHEMBL1093325 0.74 DPP4 (0.35) KDM4ENPSR1

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 CYP2A13 109/4885KDM4E 2703/4885PIK3CA 1476/4885

“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.