SCHEMBL4516244

SCHEMBL4516244

O=C1C(Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
RAB9A P51151 1/20 0.42
LMNA P02545 7/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD11B1 P28845 1/20 0.41
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 1/20 0.39
HPGD P15428 2/20 0.39
SCN9A Q15858 2/20 0.38
LIPE Q05469 1/20 0.38
POLB P06746 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
SCHEMBL4517138 0.83 HSD11B1 (0.52) ALDH1A1HSD11B1MEN1MAPTKMT2A
SCHEMBL4500752 0.83 HSD11B1 (0.39) HSD11B1HPGDSCN9ALIPE
SCHEMBL4526922 0.82 HSD11B1 (0.47) ALDH1A1HSD11B1FFAR1HPGDLIPE
SCHEMBL4517793 0.81 HSD11B1 (0.52) LMNAALDH1A1HSD11B1MEN1KMT2A
SCHEMBL3002570 0.79 HSD11B1 (0.57) ALDH1A1HSD11B1FFAR1
SCHEMBL14365302 0.78 SCN9A (0.43) SCN9ALIPE
SCHEMBL4520465 0.78 HPGD (0.48) HSD11B1FFAR1HPGDPOLB
SCHEMBL4513450 0.77 HSD11B1 (0.48) HSD11B1HPGD
SCHEMBL4514536 0.77 SCN9A (0.47) SCN9ALIPE
SCHEMBL4519067 0.77 HSD11B1 (0.50) HSD11B1FFAR1

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 SMN1; SMN2 4487/4885RAB9A 3524/4885LMNA 2846/4885

“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.