SCHEMBL20110642

SCHEMBL20110642

CCc1ccc(C)c(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
PARP1 P09874 1/20 0.33
TKT P29401 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL3938309 0.79 CCR1 (0.48) ALDH1A1KDM4E
SCHEMBL14496830 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10271989 0.78 PARP1 (0.34) ALDH1A1NOS3NOS2PARP1HTT
SCHEMBL10730430 0.78 NOS3 (0.46) NOS3NOS2PARP1TKTKDM4E
SCHEMBL11814271 0.76 MEN1 (0.35) ALDH1A1NOS3NOS2PARP1TKT
SCHEMBL9753081 0.76 NOS2 (0.43) NOS3NOS2PARP1TKTLMNA
SCHEMBL24590757 0.74 MBOAT4 (0.40) ALDH1A1PARP1LMNAKDM4ECYP1A2
SCHEMBL10272814 0.74 NOS3 (0.33) ALDH1A1NOS3NOS2PARP1HTT
SCHEMBL112688 0.74 NOS3 (0.38) ALDH1A1NOS3NOS2PARP1TKT
SCHEMBL9127909 0.74 NOS3 (0.33) NOS3NOS2PARP1TKT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications BIOTHERYX, INC. (US) 2022-05-31 US disclosed
WO-2022002245-A1 ATR INHIBITORS AND USES THEREOF SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2022-01-06 WO disclosed
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2020-11-26 US disclosed
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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 (3 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-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A ALDH1A1 721/4885NOS3 672/4885NOS2 592/4885
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications HSP90B1, EIF4EBP1, SERPINA6 ALDH1A1 4668/4885NOS3 4368/4885NOS2 4234/4885
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS HSP90B1, EIF4EBP1, SERPINA6 ALDH1A1 4668/4885NOS3 4368/4885NOS2 4234/4885

“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.