SCHEMBL5209901

SCHEMBL5209901

Nc1nc(-c2ccc(Cl)cc2)c(CCC(=O)O)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
CYP1A2 P05177 2/20 0.56
PTGDR2 Q9Y5Y4 10/20 0.52
ALDH1A1 P00352 4/20 0.50
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
COPS5 Q92905 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
PTGDR Q13258 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
SCHEMBL10359068 0.86 CYP1A2 (0.76) HTTCYP1A2PTGDR2ALDH1A1KDM4E
Carbamic Acid SCHEMBL10358650 0.85 HTT (0.64) HTTCYP1A2PTGDR2ALDH1A1KDM4E
SCHEMBL1362464 0.84 HTT (0.64) HTTCYP1A2PTGDR2ALDH1A1KDM4E
SCHEMBL10358535 0.82 HTT (0.73) HTTCYP1A2PTGDR2ALDH1A1KDM4E
SCHEMBL5215600 0.82 HTT (0.64) HTTCYP1A2PTGDR2ALDH1A1KDM4E
SCHEMBL5210404 0.81 PTGDR2 (0.76) CYP1A2PTGDR2ALDH1A1RXRARXRB
SCHEMBL10358652 0.80 HTT (0.61) HTTCYP1A2PTGDR2ALDH1A1KDM4E
SCHEMBL1361085 0.79 HTT (0.68) HTTCYP1A2PTGDR2ALDH1A1KDM4E
SCHEMBL10358692 0.79 HTT (0.56) HTTCYP1A2PTGDR2ALDH1A1KDM4E
SCHEMBL1361173 0.78 HTT (0.62) HTTCYP1A2PTGDR2ALDH1A1RXRA

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed
US-3933838-A ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESICS, ANTIBACTERIAL, DEPRESSANTS, ANTIULCER, ANTICOUGH INSTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-01-20 US 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 HTT 1097/4885CYP1A2 98/4885PTGDR2 394/4885

“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.