SCHEMBL13577129

SCHEMBL13577129

C[C@H](Oc1ccc(Cl)c(N)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ RORC P51449 3/20 0.45
▸ IGLV6-57 P01721 1/20 0.44
▸ BRD4 O60885 4/20 0.43
▸ CREBBP Q92793 4/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ S1PR5 Q9H228 2/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ LTB4R Q15722 2/20 0.41
▸ LTB4R2 Q9NPC1 2/20 0.41
▸ NUDT1 P36639 1/20 0.40

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
SCHEMBL13577006 1.00 ALOX5 (0.47) ALOX5FFAR1RORCIGLV6-57BRD4
SCHEMBL13577130 1.00 ALOX5 (0.47) ALOX5FFAR1RORCIGLV6-57BRD4
SCHEMBL13577154 0.87 TP53 (0.46) ALOX5FFAR1SLC6A4
SCHEMBL13577156 0.86 DHFR (0.47) SLC6A4
SCHEMBL13577145 0.86 ALDH1A1 (0.41) ALOX5
SCHEMBL13577140 0.84 PPARA (0.40) ALOX5SLC6A4
SCHEMBL13577159 0.84 SLC6A4 (0.41) RORCDRD4SLC6A4
SCHEMBL13577144 0.84 CASR (0.43) —
SCHEMBL13577139 0.84 SLC6A4 (0.43) SLC6A4
SCHEMBL13577151 0.83 JAK2 (0.40) DRD4SLC6A4KCNH2

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-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 ALOX5 51/4885FFAR1 424/4885RORC 398/4885

“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.

Send feedback