SCHEMBL2735690

SCHEMBL2735690

Cc1ccc(C(C)(C)O)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
KLK7 P49862 1/20 0.36
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRM3 P20309 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL22889494 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL19681462 0.79 TDP1 (0.53) TDP1KLK7HTR1AHTR7HTR6
SCHEMBL420157 0.79 TDP1 (0.53) TDP1KLK7HTR1AHTR7HTR6
SCHEMBL1614211 0.78 TDP1 (0.40) TDP1HTR1AHTR7HTR6
SCHEMBL17327470 0.76 TDP1 (0.39) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL17431771 0.75 TDP1 (0.42) TDP1HTR1AHTR7HTR6SMN1; SMN2
SCHEMBL20322598 0.72 HTR1A (0.32) TDP1HTR1AHTR7HTR6
SCHEMBL18884491 0.72 HTR1A (0.36) TDP1HTR1AHTR7HTR6MAPT
SCHEMBL254677 0.72 TDP1 (0.50) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL7696777 0.72 TDP1 (0.50) TDP1HTR1AHTR7HTR6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 EP disclosed
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-03-01 US disclosed
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-03-01 US disclosed
US-8088765-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-8088765-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 US disclosed
US-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 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-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 TDP1 2926/4885KLK7 4470/4885HTR1A 118/4885
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 TDP1 2926/4885KLK7 4470/4885HTR1A 118/4885

“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.