SCHEMBL29935864

SCHEMBL29935864

COc1cc(C=O)cc(-n2cnnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 3/20 0.48
CYP2A6 P11509 1/20 0.48
TSHR P16473 2/20 0.41
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 2/20 0.37
NQO2 P16083 2/20 0.37
ABL1 P00519 1/20 0.37
TTR P02766 1/20 0.37
ABCB1 P08183 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL28597895 0.77 CYP2A6 (0.39) CYP1A2CYP2C9ALDH1A1CYP2A6KMT2A
SCHEMBL29935790 0.77 CYP2A6 (0.39) CYP1A2CYP2C9ALDH1A1CYP2A6KMT2A
SCHEMBL228003 0.75 CYP1A1 (0.64) CYP1A2ALDH1A1CYP2A6TSHRCYP1A1
SCHEMBL1663786 0.75 ALDH1A1 (0.58) CYP1A2ALDH1A1CYP2A6TSHRCYP1A1
SCHEMBL29935703 0.75 ALDH1A1 (0.59) CYP1A2CYP2C9ALDH1A1CYP2A6CYP1A1
SCHEMBL29935770 0.74 KCNJ1 (0.33) ALDH1A1SMN1; SMN2
Water SCHEMBL28227114 0.73 CYP1A1 (0.61) CYP1A2ALDH1A1CYP2A6TSHRCYP1A1
Benzaldehyde SCHEMBL638106 0.73 ALDH1A1 (0.57) CYP1A2ALDH1A1CYP2A6CYP1A1CYP1B1
SCHEMBL24656138 0.72 CYP1A2 (0.56) CYP1A2CYP2C9ALDH1A1TSHRCYP1B1
SCHEMBL31133361 0.72 CYP1A2 (0.51) CYP1A2CYP2C9ALDH1A1TSHRMAPT

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-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 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
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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 (4 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 CYP1A2 540/4885CYP2C9 1000/4885ALDH1A1 312/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH CYP1A2 611/4885CYP2C9 694/4885ALDH1A1 587/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885ALDH1A1 312/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885ALDH1A1 312/4885

“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.