SCHEMBL4515903

SCHEMBL4515903

O=C1C(C2CCCCC2)CCN1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
P2RX7 Q99572 5/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
FADS1 O60427 1/20 0.42
CYP2A13 Q16696 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4514647 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBTDP1LMNA
SCHEMBL2299174 0.75 PER2 (0.40)
SCHEMBL4524414 0.75 ALDH1A1 (0.54) ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL17138582 0.74 ALDH1A1 (0.55) ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL2299396 0.72 TNKS (0.36) SIGMAR1KMT2A
SCHEMBL30596611 0.71 KDM4E (0.71) ALDH1A1KDM4EPOLBTDP1MAPT
SCHEMBL17138591 0.71 ALDH1A1 (0.51) ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL30798198 0.71 KMT2A (0.57) ALDH1A1KDM4EPOLBTDP1P2RX7
SCHEMBL4510850 0.70 GAA (0.48) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL20309267 0.70 CYP2A13 (0.49) ALDH1A1KDM4ETDP1P2RX7LMNA

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 ALDH1A1 51/4885KDM4E 2703/4885POLB 2628/4885

“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.