SCHEMBL21849005

SCHEMBL21849005

Cc1cccc2nc(C(F)(F)F)c(C(C)(C)C)n12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
POLB P06746 2/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 2/20 0.40
TP53 P04637 8/20 0.37
SMN1; SMN2 Q16637 7/20 0.37
MAPT P10636 7/20 0.37
PKLR P30613 6/20 0.36
PKM P14618 5/20 0.36
MGLL Q99685 1/20 0.35
GAA P10253 11/20 0.35
PPP1CA P62136 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL21894539 0.81 KDM4E (0.55) KDM4EALDH1A1POLBCYP1A2HPGD
SCHEMBL21849002 0.80 HTT (0.51) KDM4EALDH1A1POLBCYP1A2HPGD
SCHEMBL21863417 0.76 KDM4E (0.50) KDM4EALDH1A1POLBCYP1A2HPGD
SCHEMBL13377117 0.76 ALDH1A1 (0.57) KDM4EALDH1A1POLBCYP1A2HPGD
SCHEMBL24654981 0.75 HSD17B10 (0.47) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL21816358 0.74 ALDH1A1 (0.51) KDM4EALDH1A1POLBCYP1A2HPGD
SCHEMBL25024725 0.73 KDM4E (0.33) KDM4EALDH1A1POLBCYP1A2HPGD
SCHEMBL13377204 0.73 KDM4E (0.61) KDM4EALDH1A1POLBCYP1A2HPGD
SCHEMBL12571765 0.65 ALDH1A1 (0.48) KDM4EALDH1A1POLBCYP1A2HPGD
SCHEMBL20512222 0.65 ALDH1A1 (0.55) KDM4EALDH1A1POLBCYP1A2HPGD

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-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (5 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885ALDH1A1 312/4885POLB 2269/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2800/4885ALDH1A1 344/4885POLB 2574/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885ALDH1A1 312/4885POLB 2269/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2800/4885ALDH1A1 344/4885POLB 2574/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2437/4885ALDH1A1 312/4885POLB 2269/4885

“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.