SCHEMBL4524626

SCHEMBL4524626

O=C(CC1CCC(N2CCC(Cc3c(Cl)cccc3Cl)C2=O)CC1)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
IDO1 P14902 2/20 0.45
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 1/20 0.43
NAMPT P43490 2/20 0.41
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
FPR2 P25090 1/20 0.39
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CACNA1H O95180 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
SCHEMBL4523431 0.86 L3MBTL1 (0.49) HSD11B1GAALMNASMN1; SMN2
SCHEMBL4511941 0.86 HSD11B1 (0.46) HSD11B1LMNA
SCHEMBL4513244 0.83 HSD11B1 (0.43) ALDH1A1HSD11B1LMNASMN1; SMN2
SCHEMBL4511224 0.81 HSD11B1 (0.46) ALDH1A1HSD11B1LMNASMN1; SMN2
SCHEMBL4514730 0.81 KMT2A (0.46) HSD11B1GAASMN1; SMN2
SCHEMBL13674506 0.79 KDM4E (0.44) ALDH1A1HSD11B1GAALMNASMN1; SMN2
SCHEMBL2989122 0.78 HSD11B1 (0.48) ALDH1A1HSD11B1LMNASMN1; SMN2
SCHEMBL4514552 0.78 HSD11B1 (0.48) ALDH1A1HSD11B1LMNASMN1; SMN2
SCHEMBL2989117 0.78 HSD11B1 (0.48) ALDH1A1HSD11B1LMNASMN1; SMN2
SCHEMBL4515016 0.77 HSD11B1 (0.43) ALDH1A1HSD11B1PKMSMN1; SMN2

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 EPHX2 670/4885IDO1 799/4885ALDH1A1 51/4885

“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.