SCHEMBL4505216

SCHEMBL4505216

O=C(NCCc1ccccc1Cl)C1CCN(C2CCCCC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL4517653 0.82 P2RX7 (0.49) ALDH1A1LMNAP2RX7
SCHEMBL2795464 0.78 MTNR1A (0.59) ALDH1A1GAANPC1RAB9ALMNA
SCHEMBL4520615 0.78 CYP2C19 (0.51) ALDH1A1NPC1RAB9APOLB
SCHEMBL892708 0.78 MTNR1A (0.53) ALDH1A1LMNA
SCHEMBL4516982 0.76 HSD11B1 (0.56) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL4511149 0.74 KMT2A (0.46) ALDH1A1KMT2ALMNAPOLBP2RX7
SCHEMBL2475349 0.74 ALDH1A1 (0.61) ALDH1A1GAARXFP1
SCHEMBL3554597 0.73 HSD11B1 (0.67) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL892815 0.72 MTNR1A (0.56) ALDH1A1LMNA
Formic Acid SCHEMBL5073510 0.70 ALDH1A1 (0.57) ALDH1A1GAARXFP1

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 51/4885KMT2A 2379/4885MEN1 1254/4885

“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.