SCHEMBL4524082

SCHEMBL4524082

O=C1N(Cc2c(Cl)cccc2Cl)CCN1N1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 4/20 0.49
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
KCNH2 Q12809 1/20 0.41
P2RX7 Q99572 3/20 0.41
HTT P42858 2/20 0.39
GSK3B P49841 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
CDK4 P11802 1/20 0.39
ALOX15 P16050 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL4513935 0.77 CYP2D6 (0.53) POLBNPSR1ALDH1A1CYP1A2CYP2C19
SCHEMBL4515061 0.74 NPSR1 (0.40) POLBNPSR1ALDH1A1LMNACYP1A2
SCHEMBL4501138 0.73 CYP2D6 (0.59) POLBNPSR1ALDH1A1LMNACYP1A2
SCHEMBL4526107 0.72 POLB (0.43) POLBNPSR1ALDH1A1CYP1A2CYP2C19
SCHEMBL4514855 0.72 CYP2A13 (0.55) POLBNPSR1ALDH1A1CYP1A2CYP2C19
SCHEMBL4515258 0.69 HSD11B1 (0.42) POLBNPSR1ALDH1A1CYP1A2CYP2C19
SCHEMBL4510323 0.69 P2RX7 (0.51) POLBNPSR1CYP1A2CYP2C19DRD2
SCHEMBL4516861 0.68 CYP2D6 (0.58) POLBNPSR1ALDH1A1LMNACYP1A2
SCHEMBL4510232 0.68 P2RX7 (0.58) ALDH1A1CYP1A2CYP2C19DRD2DRD3
SCHEMBL4500988 0.67 KCNH2 (0.48) POLBNPSR1ALDH1A1LMNACYP1A2

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 POLB 2628/4885NPSR1 2333/4885ALDH1A1 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.