SCHEMBL7757528

SCHEMBL7757528

COc1ccc2nc(C)cc(C(C)(C)C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.58
RAD52 P43351 1/20 0.58
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NQO2 P16083 2/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PKM P14618 1/20 0.55
SLC2A1 P11166 1/20 0.53
PTPN11 Q06124 1/20 0.53
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATM Q13315 1/20 0.50
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.48
CFTR P13569 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL1161734 0.86 POLB (0.57) POLBRAD52KDM4EHSD17B10HPGD
SCHEMBL8103092 0.80 POLB (0.66) POLBRAD52KDM4EHSD17B10HPGD
SCHEMBL29324195 0.80 LMNA (0.58) KDM4EMEN1KMT2APKMSMN1; SMN2
SCHEMBL31284608 0.77 POLB (0.60) POLBRAD52KDM4EHSD17B10HPGD
SCHEMBL7760650 0.77 GAA (0.49) KDM4EALDH1A1MEN1KMT2ASLC2A1
SCHEMBL1043638 0.77 KDM4E (0.65) POLBRAD52KDM4EHSD17B10HPGD
SCHEMBL437286 0.77 HSD17B10 (0.71) POLBRAD52KDM4EHSD17B10HPGD
SCHEMBL1161098 0.77 POLB (0.60) POLBRAD52KDM4EHSD17B10HPGD
SCHEMBL13990739 0.77 DHODH (0.43) KDM4EHSD17B10ALDH1A1PKMATM
SCHEMBL29923523 0.77 POLB (0.60) POLBRAD52KDM4EHSD17B10HPGD

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
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A POLB 1149/4885RAD52 4712/4885KDM4E 2347/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP POLB 492/4885RAD52 2331/4885KDM4E 3365/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A POLB 1190/4885RAD52 4696/4885KDM4E 2437/4885

“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.