SCHEMBL4500422

SCHEMBL4500422

O=C1C(Cc2c(Cl)cccc2Cl)C(COc2ccccc2)CN1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
CCR5 P51681 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
GRM2 Q14416 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HPGD P15428 1/20 0.34
PTGES O14684 1/20 0.34
PTGS2 P35354 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
SCHEMBL14365304 0.82 PARP1 (0.37) HSD11B1CCR5MEN1KMT2APOLB
SCHEMBL4501069 0.82 KMT2A (0.39) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL4510432 0.78 TDP1 (0.37) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL13674436 0.77 POLB (0.40) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL4516476 0.77 KMT2A (0.40) HSD11B1MEN1KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL4509819 0.76 POLB (0.39) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL4520571 0.76 LMNA (0.36) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL4503330 0.75 LMNA (0.39) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL4518281 0.74 SMN1; SMN2 (0.39) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL4515989 0.73 MEN1 (0.38) HSD11B1MEN1KMT2APOLBALDH1A1

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 HSD11B1 1/4885CCR5 2582/4885MEN1 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.