SCHEMBL1873989

SCHEMBL1873989

O=Cc1ccc(Oc2cc(C(F)(F)F)c3nc(C(F)(F)F)[nH]c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.40
▸ SYK P43405 1/20 0.37
▸ KIF11 P52732 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ ESRRA P11474 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP3 Q9Y6F1 1/20 0.34
▸ CACNA1H O95180 3/20 0.34

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
SCHEMBL1873312 0.88 DHODH (0.40) DHODHKIF11KDM4EHPGDALDH1A1
SCHEMBL12633881 0.81 KIF11 (0.35) DHODHKIF11KDM4EHPGDALDH1A1
SCHEMBL6270528 0.74 CACNA1H (0.41) SYKKIF11KDM4EHPGDALDH1A1
SCHEMBL12633895 0.73 POLB (0.39) DHODHKIF11KDM4EHPGDALDH1A1
SCHEMBL3824270 0.73 DRD2 (0.41) MEN1GAAKMT2ACACNA1HCACNA1G
SCHEMBL24181308 0.72 KIF11 (0.50) KIF11KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1283899 0.70 KIF11 (0.51) KIF11KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL7653937 0.70 NPSR1 (0.53) KIF11KDM4EHPGDALDH1A1LMNA
SCHEMBL875004 0.69 AR (0.46) KIF11ALDH1A1POLBMEN1KMT2A
SCHEMBL29985730 0.69 AR (0.46) KIF11ALDH1A1POLBMEN1KMT2A

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-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 — — US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 — — US disclosed
EP-1943226-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-16 — — EP disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 — — WO 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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 DHODH 1276/4885SYK 4617/4885KIF11 4652/4885

“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.

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