SCHEMBL4517686

SCHEMBL4517686

O=C1C(Cc2ccc(O)cc2Cl)CCN1N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA7 P36544 2/20 0.33
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HSD11B1 P28845 1/20 0.32
FFAR1 O14842 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CYP19A1 P11511 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
TP53BP1 Q12888 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3878989 0.88 KMT2A (0.39) KMT2AALDH1A1SMN1; SMN2LMNAFFAR1
SCHEMBL2065090 0.84 ESR1 (0.32) CHRNA7HSD11B1ESR1ESR2
SCHEMBL2065091 0.84 ESR1 (0.32) CHRNA7HSD11B1ESR1ESR2
SCHEMBL4509869 0.83 HTR1A (0.42) CYP26A1CHRNA7ALDH1A1L3MBTL1
SCHEMBL4510108 0.83 ALDH1A1 (0.43) CYP26A1MEN1KMT2AALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL3881104 0.82 KMT2A (0.39) KMT2AFFAR1
SCHEMBL4512444 0.81 HSD11B1 (0.54) CYP26A1ALDH1A1SMN1; SMN2LMNAHSD11B1
SCHEMBL1092636 0.80 ROCK2 (0.33) ROCK2
SCHEMBL1092633 0.80 ROCK2 (0.33) ROCK2
SCHEMBL4516396 0.79 HTR1A (0.35) ROCK2FFAR1

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 CYP26A1 66/4885MEN1 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.