SCHEMBL12995259

SCHEMBL12995259

CCC(C)c1ccc2nccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGA O60502 14/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL23347079 0.85 OGA (0.43) OGAALDH1A1HPGDHSD17B10KDM4E
SCHEMBL26022989 0.83 OGA (0.43) OGAALDH1A1HPGDHSD17B10KDM4E
SCHEMBL20032357 0.82 OGA (0.43) OGAALDH1A1HPGDHSD17B10KDM4E
SCHEMBL114725 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10ALOX15KDM4ETP53
SCHEMBL20309118 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10ALOX15KDM4ETP53
SCHEMBL29473917 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10ALOX15KDM4ETP53
SCHEMBL1619361 0.79 OGA (0.49) OGAALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3611078 0.79 LMNA (0.44) OGAALDH1A1MAPT
Methane SCHEMBL28862287 0.79 ALDH1A1 (0.51) ALDH1A1HSD17B10ALOX15KDM4ETP53
SCHEMBL12386875 0.79 ALDH1A1 (0.51) OGAALDH1A1HPGDHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739098-B2 Substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-29 US disclosed
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 OGA 1297/4885ALDH1A1 3447/4885HPGD 1418/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 OGA 2699/4885ALDH1A1 1575/4885HPGD 3818/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 OGA 2809/4885ALDH1A1 1125/4885HPGD 3211/4885
US-11739098-B2 Substituted indole compounds TLR7, TLR1, HTR7 OGA 4319/4885ALDH1A1 2474/4885HPGD 792/4885

“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.