SCHEMBL13031433

SCHEMBL13031433

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2cnc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CCR1 P32246 1/20 0.42
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
CRHR1 P34998 1/20 0.35
CA2 P00918 1/20 0.35
HPGD P15428 2/20 0.35
ENPP2 Q13822 1/20 0.35
RORC P51449 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL13031431 0.91 GAA (0.36) GAACCR1LMNARORC
SCHEMBL13031392 0.89 CXCR3 (0.41) GAALMNAKDM4EPOLBALDH1A1
SCHEMBL13031527 0.86 RXRA (0.34) GAALMNAPOLBENPP2RORC
SCHEMBL13031504 0.84 KMT2A (0.32) CCR1POLBRORCALDH1A1
SCHEMBL3589462 0.84 GAA (0.46) GAACCR1LMNAKDM4ETP53
SCHEMBL13031357 0.83 CXCR3 (0.40) RORC
SCHEMBL13031451 0.82 MAPT (0.35) CCR1LMNATP53POLBRORC
SCHEMBL13031437 0.82 CCR1 (0.33) GAACCR1LMNAPOLBRORC
SCHEMBL13031533 0.81 POLB (0.32) GAAPOLBCA2ENPP2
SCHEMBL13031565 0.81 CXCR3 (0.44) ENPP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
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 (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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 GAA 4433/4885CCR1 8/4885LMNA 4877/4885

“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.