SCHEMBL4524596

SCHEMBL4524596

O=C1CCCN1N1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
NOTUM Q6P988 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALOX15 P16050 2/20 0.43
USP2 O75604 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
TP53 P04637 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL30530510 0.82 MEN1 (0.44) SMN1; SMN2NOTUMALDH1A1MEN1KMT2A
SCHEMBL4514818 0.74 ALDH1A1 (0.44) SMN1; SMN2NOTUMALDH1A1MEN1KMT2A
SCHEMBL15775030 0.74 HPGD (0.46) NOTUMALDH1A1MEN1KMT2AALOX15
SCHEMBL2704963 0.73 ALDH1A1 (0.48) SMN1; SMN2NOTUMALDH1A1MEN1KMT2A
SCHEMBL600282 0.73 BRD4 (0.52) ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL4745228 0.72 ALDH1A1 (0.41) SMN1; SMN2NOTUMALDH1A1MEN1KMT2A
SCHEMBL2338480 0.72 ALDH1A1 (0.47) SMN1; SMN2NOTUMALDH1A1MEN1KMT2A
SCHEMBL10772899 0.72 SMN1; SMN2 (0.50) SMN1; SMN2NOTUMALDH1A1MEN1KMT2A
SCHEMBL20267337 0.71 ALDH1A1 (0.54) NOTUMALDH1A1MEN1KMT2AALOX15
SCHEMBL27750511 0.71 SRD5A1 (0.46) SMN1; SMN2NOTUMMEN1KMT2APOLB

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 4 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

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 4487/4885NOTUM 340/4885ALDH1A1 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.