SCHEMBL4514818

SCHEMBL4514818

O=C1NCCN1N1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 2/20 0.42
USP2 O75604 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
NOTUM Q6P988 1/20 0.41
PDPK1 O15530 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
TSHR P16473 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BRCA1 P38398 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
SCHEMBL10473711 0.78 HTR2A (0.40) ALDH1A1PDPK1PARP1PARP10PARP11
SCHEMBL4524596 0.74 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL5904175 0.72 CRBN (0.37) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3196430 0.71 HTR2C (0.45) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4745228 0.71 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL20267337 0.70 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL30530510 0.70 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2123689 0.69 ROCK1 (0.49) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL15775030 0.69 HPGD (0.46) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2704963 0.68 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTGAA

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 ALDH1A1 51/4885MEN1 1254/4885KMT2A 2379/4885

“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.