SCHEMBL5212957

SCHEMBL5212957

COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(CCC(N)=O)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.47
TARBP2 Q15633 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
KDR P35968 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
PDCD4 Q53EL6 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
CETP P11597 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5212252 0.89 MAPT (0.47) IKBKBTARBP2SMN1; SMN2NPC1RAB9A
SCHEMBL5207385 0.86 NR4A2 (0.51) IKBKBPTGDR2ALDH1A1HPGDMAPT
SCHEMBL5213550 0.85 TP53 (0.44) IKBKBTARBP2SMN1; SMN2NPC1RAB9A
SCHEMBL13116220 0.82 PTGDR2 (0.58) TARBP2SMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL5211085 0.82 NR4A2 (0.42) IKBKBPTGDR2MAPTMEN1KMT2A
SCHEMBL5211980 0.80 RXRA (0.49) IKBKBPTGDR2ALDH1A1HPGDMEN1
SCHEMBL13116169 0.79 TARBP2 (0.56) TARBP2SMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL5211537 0.78 RXRA (0.47) TARBP2KDRALDH1A1MAPTLMNA
SCHEMBL5209458 0.77 LMNA (0.44) TARBP2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8303347 0.77 NR4A2 (0.35) IKBKBTARBP2PTGDR2ALDH1A1HSD17B10

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 3 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

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 IKBKB 2901/4885TARBP2 2702/4885SMN1; SMN2 584/4885

“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.