SCHEMBL14586459

SCHEMBL14586459

CC(C)(C)c1cc(Cl)cnc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALOX15 P16050 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 1/20 0.39
CA2 P00918 4/20 0.37
CA1 P00915 2/20 0.37
TYR P14679 2/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
HIF1A Q16665 1/20 0.34
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
NR1I2 O75469 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
SCHEMBL8989499 0.79 L3MBTL1 (0.41) ALDH1A1CYP1A2CYP2C19HTTHSD17B10
SCHEMBL10264977 0.78 HTT (0.33) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL22949453 0.77 L3MBTL1 (0.33) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL13145646 0.77 L3MBTL1 (0.33) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL7749594 0.77 HSP90AA1 (0.42) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL25950813 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL23478377 0.75 IDO1 (0.39) CYP1A2HTTHSD17B10PLAUGLA
SCHEMBL6370666 0.75 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL25950824 0.75 LMNA (0.34) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL12401753 0.72 LMNA (0.43) ALDH1A1SMN1; SMN2ALOX15KDM4EMAPT

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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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 (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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B ALDH1A1 2504/4885SMN1; SMN2 2267/4885ALOX15 2153/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 ALDH1A1 2178/4885SMN1; SMN2 2910/4885ALOX15 707/4885

“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.