SCHEMBL20313136

SCHEMBL20313136

CCOC(=O)c1cccnc1-c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ELANE P08246 2/20 0.51
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
TP53 P04637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL2564440 0.90 ALDH1A1 (0.60) TSHRHTTALDH1A1LMNASMN1; SMN2
SCHEMBL14840180 0.88 MAPK1 (0.56) TSHRHTTALDH1A1LMNASMN1; SMN2
SCHEMBL29453738 0.88 MAPK1 (0.56) TSHRHTTALDH1A1LMNASMN1; SMN2
SCHEMBL2858512 0.85 TRPV1 (0.51) TSHRHTTALDH1A1LMNASMN1; SMN2
SCHEMBL14564455 0.85 TRPV1 (0.50) ALDH1A1SMN1; SMN2MAPTATMHPGD
SCHEMBL16276477 0.85 JAK2 (0.58) TSHRELANEHTTALDH1A1LMNA
SCHEMBL25780705 0.83 TSHR (0.58) TSHRELANEHTTALDH1A1LMNA
SCHEMBL38658131 0.83 RAB9A (0.60) TSHRHTTALDH1A1LMNASMN1; SMN2
SCHEMBL22719210 0.83 TSHR (0.50) TSHRELANEHTTALDH1A1LMNA
SCHEMBL11265967 0.82 ELANE (0.46) TSHRELANEALDH1A1LMNASMN1; SMN2

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-10035768-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2018-07-31 US disclosed
US-20180179160-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2018-06-28 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-20180179160-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 TSHR 297/4885ELANE 237/4885HTT 3069/4885
US-10035768-B2 C5aR antagonists C5AR1, C5AR2, C3AR1 TSHR 297/4885ELANE 237/4885HTT 3069/4885

“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.