SCHEMBL29631985

SCHEMBL29631985

Cc1ccc2c(c1)cc(Cn1c(=O)c3c(nc(CCO)n3C)n(C)c1=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ BRAF P15056 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL18989858 1.00 ALDH1A1 (0.36) ALDH1A1MAOAMAOBSMN1; SMN2NPSR1
SCHEMBL18990142 0.92 TP53 (0.40) ALDH1A1MAOAMAOBSMN1; SMN2NPSR1
SCHEMBL19013577 0.91 NR1H2 (0.43) ALDH1A1TP53BRAFPIK3CGNR1H2
SCHEMBL29631964 0.91 NR1H2 (0.43) ALDH1A1TP53BRAFPIK3CGNR1H2
SCHEMBL29631905 0.89 ALDH1A1 (0.34) ALDH1A1MAOAMAOBSMN1; SMN2NPSR1
SCHEMBL18991062 0.89 ALDH1A1 (0.34) ALDH1A1MAOAMAOBSMN1; SMN2NPSR1
SCHEMBL18990307 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPSR1ALOX15L3MBTL1
SCHEMBL29631930 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPSR1ALOX15L3MBTL1
SCHEMBL18989689 0.88 BRAF (0.39) ALDH1A1MAOAMAOBSMN1; SMN2NPSR1
SCHEMBL20592324 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPSR1TP53LMNA

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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 — — US disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 — — US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 — — 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 (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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885MAOA 608/4885MAOB 276/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885MAOA 608/4885MAOB 276/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885MAOA 608/4885MAOB 276/4885

“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.

Send feedback