SCHEMBL4513609

SCHEMBL4513609

O=C1C(Cc2ccc(Br)cc2Cl)CCN1C1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
AHR P35869 1/20 0.41
HSD11B1 P28845 4/20 0.38
GPR84 Q9NQS5 1/20 0.37
CHRNA7 P36544 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
POLB P06746 1/20 0.34
CYP27A1 Q02318 1/20 0.34
CYP24A1 Q07973 1/20 0.34
OPRD1 P41143 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ROCK2 O75116 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL4510847 0.89 SMN1; SMN2 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4524149 0.88 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4526694 0.88 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4500555 0.86 CTSD (0.46) KDM4EALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4510366 0.86 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4514845 0.86 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4516442 0.85 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4521693 0.82 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4516530 0.81 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4521423 0.81 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2MEN1MAPT

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 KDM4E 2703/4885ALDH1A1 51/4885SMN1; SMN2 4487/4885

“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.