SCHEMBL4511933

SCHEMBL4511933

Cc1ccccc1Cn1c(=O)n(Cc2c(Cl)cccc2Cl)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 1/20 0.57
ATM Q13315 1/20 0.56
C5AR1 P21730 3/20 0.52
THRB P10828 2/20 0.51
CYP2D6 P10635 1/20 0.51
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.46
PRMT5 O14744 1/20 0.46

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
SCHEMBL4517720 0.86 MEN1 (0.69) MEN1KMT2AALDH1A1ATMC5AR1
SCHEMBL4510232 0.74 P2RX7 (0.58) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL4514112 0.73 P2RX7 (0.46) MEN1KMT2ATP53POLBMAPT
SCHEMBL4509520 0.72 MAPT (0.53) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL4223863 0.70 THRB (0.53) NPSR1MEN1KMT2AALDH1A1ATM
SCHEMBL22238135 0.68 NPC1 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL30616063 0.68 CHRNE (0.63) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL29093444 0.68 CHRNE (0.63) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL20548663 0.67 PKM (0.45) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4525071 0.67 P2RX7 (0.42) CYP1A2CYP3A4CYP2C19MEN1KMT2A

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 CYP1A2 270/4885CYP3A4 671/4885CYP2C9 597/4885

“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.