SCHEMBL25527295

SCHEMBL25527295

CC(C)(C)c1cc(Br)c2nccnc2c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL25540838 0.85 ALDH1A1 (0.31) HIF1AALDH1A1CYP3A4HPGDALOX15
SCHEMBL18425003 0.81 GRM2 (0.37) MAPK1
SCHEMBL12302465 0.75 ADRA2A (0.32) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL638491 0.74 ALDH1A1 (0.35) ALDH1A1MAPK1
SCHEMBL26029320 0.73 CCR1 (0.42) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17875688 0.73 NQO2 (0.45) CYP1A2CYP2C19ALDH1A1CYP3A4HPGD
SCHEMBL24373626 0.71 CCNB2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL30789719 0.69 NR4A2 (0.39) CYP1A2ALDH1A1HPGDALOX15CASP1
SCHEMBL30377453 0.69 MAPT (0.42) ALDH1A1TSHRCASP1HSD17B10MAPK1
SCHEMBL25002420 0.69 MAPT (0.42) ALDH1A1TSHRCASP1HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 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-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HIF1A 4089/4885CYP1A2 540/4885CYP2D6 782/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP HIF1A 4089/4885CYP1A2 540/4885CYP2D6 782/4885

“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.