SCHEMBL18874231

SCHEMBL18874231

Nc1ccc(C#CC#Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 2/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ GLA P06280 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ HPGD P15428 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ EPHX2 P34913 1/20 0.50
▸ HRH3 Q9Y5N1 4/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48

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
SCHEMBL22837224 0.95 CD274 (0.62) CD274ALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL3408343 0.89 ALDH1A1 (0.71) CD274ALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL3401326 0.88 CYP1A2 (0.74) CD274ALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL3642214 0.82 CYP1A2 (0.65) CD274ALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL18874371 0.80 LMNA (0.49) CD274ALDH1A1CYP1A2POLBHPGD
SCHEMBL19877141 0.79 CYP1A2 (0.68) CD274ALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL30969330 0.78 ALDH1A1 (0.71) CD274ALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL9199198 0.78 LMNA (0.67) CD274ALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL3543817 0.78 CD274 (0.92) CD274ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL29605727 0.77 CYP1A2 (0.74) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9

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-20210078957-A1 SUBSTITUTED PYRIMIDINES FOR TREATING BACTERIAL INFECTIONS FORGE THERAPEUTICS, INC. 2021-03-18 — — US disclosed
US-10875832-B2 Substituted pyrimidines for treating bacterial infections FORGE THERAPEUTICS, INC. (US) 2020-12-29 — — US disclosed
US-10414735-B2 Substituted hydroxypyrimidinones for treating bacterial infections FORGE THERAPEUTICS, INC. (US) 2019-09-17 — — US disclosed
WO-2017083431-A2 HYDROXYPYRIDINONE AND HYDROXYPYRIMIDINONE BASED COMPOUNDS FOR TREATING BACTERIAL INFECTIONS FORGE THERAPEUTICS, INC. (US) 2017-05-18 — — WO 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-20210078957-A1 SUBSTITUTED PYRIMIDINES FOR TREATING BACTERIAL INFECTIONS DPYD, TYMP, UMPS CD274 2990/4885ALDH1A1 1644/4885NPSR1 3809/4885
US-10414735-B2 Substituted hydroxypyrimidinones for treating bacterial infections ALPI, HPGDS, SDHB CD274 3847/4885ALDH1A1 706/4885NPSR1 1427/4885
US-10875832-B2 Substituted pyrimidines for treating bacterial infections UMPS, DPYD, TYMP CD274 4359/4885ALDH1A1 1265/4885NPSR1 3608/4885

“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