SCHEMBL3577015

SCHEMBL3577015

Cc1cc(C)n(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 2/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 1/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MGLL Q99685 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
SCHEMBL3589462 0.90 GAA (0.46) LMNAPOLBGAATLR9TLR8
SCHEMBL3596505 0.90 SHMT1 (0.36) CXCR3KCNH2ALDH1A1LMNAMAPT
SCHEMBL3589321 0.87 SHMT1 (0.35) CXCR3KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL3581647 0.87 CXCR3 (0.36) CXCR3KCNH2RORC
SCHEMBL3588152 0.87 CXCR3 (0.38) CXCR3KCNH2ALDH1A1LMNAMAPT
SCHEMBL3592654 0.85 RORC (0.33) LMNAMAPTPOLBTLR9TLR8
SCHEMBL3589124 0.85 TP53 (0.33) LMNAMAPTRORC
SCHEMBL3595230 0.84 RORC (0.36) LMNATLR9TLR8TLR7RORC
SCHEMBL3584160 0.83 RORC (0.38) ALDH1A1LMNAMAPTPOLBRORC
SCHEMBL13031392 0.83 CXCR3 (0.41) CXCR3KCNH2ALDH1A1LMNAPOLB

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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US claimed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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 (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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 CXCR3 1858/4885KCNH2 592/4885ALDH1A1 999/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 2030/4885ALDH1A1 971/4885

“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.