SCHEMBL5773401

SCHEMBL5773401

ClCc1cnoc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
RAB9A P51151 2/20 0.36
PTPN11 Q06124 2/20 0.36
DUSP3 P51452 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
EPHX2 P34913 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TDO2 P48775 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5773429 0.86 RAB9A (0.38) IDO1HTR2BPDE4DRAB9APTPN11
SCHEMBL5773966 0.81 SIRT2 (0.39) IDO1HTR2BPDE4DRAB9APTPN11
SCHEMBL5770707 0.79 RXRA (0.53) RXRARXRBALDH1A1MEN1KMT2A
SCHEMBL5776254 0.75 MAPT (0.42) RXRARXRBMAPTMEN1KMT2A
SCHEMBL5775506 0.73 AHR (0.36) RAB9AALDH1A1HPGDMAPTTDO2
SCHEMBL5773091 0.73 MAPT (0.38) HPGDMAPTMEN1KMT2APOLB
SCHEMBL5776160 0.70 IDO1 (0.34) IDO1TDO2TP53
SCHEMBL5776428 0.69 SIRT2 (0.39) RAB9AALDH1A1NPC1CYP1A2CYP2C19
SCHEMBL5770512 0.68 MAPT (0.45) RAB9AALDH1A1HPGDHTTLMNA
SCHEMBL5772922 0.68 GSK3B (0.31)

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR IDO1 1275/4885HTR2B 2294/4885PDE4D 3886/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 IDO1 693/4885HTR2B 2562/4885PDE4D 4345/4885

“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.