SCHEMBL29702996

SCHEMBL29702996

Cc1cc(CCC(=O)c2ccccc2C(=O)O)cc(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.54
METTL3 Q86U44 1/20 0.53
GNMT Q14749 3/20 0.52
TRPM2 O94759 2/20 0.52
DNPH1 O43598 1/20 0.51
PRKAB2 O43741 1/20 0.51
LDHA P00338 1/20 0.51
ADRB2 P07550 1/20 0.51
FBP1 P09467 1/20 0.51
SRC P12931 1/20 0.51
P2RY2 P41231 1/20 0.51
P2RY1 P47900 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PDE3A Q14432 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51

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
SCHEMBL22343533 0.91 GNMT (0.57) ADORA1METTL3GNMTTRPM2
SCHEMBL22343666 0.90 GNMT (0.56) ADORA1METTL3GNMTTRPM2DNPH1
SCHEMBL22343764 0.90 ADORA1 (0.54) ADORA1GNMTTRPM2
SCHEMBL22343675 0.90 ADH1A (0.53) ADORA1METTL3GNMTTRPM2DNPH1
SCHEMBL22343662 0.89 BCHE (0.48) ADORA1GNMT
SCHEMBL22323629 0.87 GNMT (0.56) ADORA1GNMTTRPM2DNPH1PRKAB2
SCHEMBL22343707 0.85 BCHE (0.46) ADORA1GNMTTRPM2
SCHEMBL22343637 0.85 BCHE (0.46) ADORA1GNMTTRPM2
SCHEMBL22343548 0.84 ADORA1 (0.52) ADORA1METTL3GNMTTRPM2
SCHEMBL29702967 0.84 ADORA1 (0.52) ADORA1METTL3GNMTTRPM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235088-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-07-28 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 (1 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-20220235088-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE ADSL, MEN1, AMD1 ADORA1 309/4885METTL3 1773/4885GNMT 526/4885

“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.