SCHEMBL16508902

SCHEMBL16508902

COC(=O)C(C)Cc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.57
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.53
FDPS P14324 1/20 0.50
NLRP3 Q96P20 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
NAPRT Q6XQN6 1/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL30178281 0.86 TBXAS1 (0.56) TBXAS1LMNAALDH1A1FDPSKMT2A
SCHEMBL2420345 0.86 TBXAS1 (0.56) TBXAS1LMNAALDH1A1FDPSKMT2A
Hydrochloric Acid SCHEMBL27580147 0.85 TBXAS1 (0.57) TBXAS1LMNAALDH1A1FDPSHTT
Hydrochloric Acid SCHEMBL27527974 0.85 TBXAS1 (0.57) TBXAS1LMNAALDH1A1FDPSHTT
SCHEMBL2058766 0.83 ALDH1A1 (0.49) TBXAS1ALDH1A1FDPSNLRP3HTT
SCHEMBL29627252 0.83 ALDH1A1 (0.49) TBXAS1ALDH1A1FDPSNLRP3HTT
SCHEMBL1693107 0.83 ALDH1A1 (0.49) TBXAS1ALDH1A1FDPSNLRP3HTT
SCHEMBL19699200 0.83 ALDH1A1 (0.49) TBXAS1ALDH1A1FDPSNLRP3HTT
SCHEMBL4477889 0.83 TBXAS1 (0.52) TBXAS1LMNAALDH1A1FDPSNLRP3
SCHEMBL23732837 0.82 TBXAS1 (0.61) TBXAS1LMNAFDPSKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA TBXAS1 1485/4885LMNA 4142/4885ALDH1A1 2148/4885

“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.