SCHEMBL21360554

SCHEMBL21360554

COc1cncn(CCc2ccc(C)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ P2RX3 P56373 2/20 0.41
▸ HSP90AA1 P07900 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ QPCT Q16769 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 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
SCHEMBL18838118 0.88 CYP11B1 (0.45) LMNAP2RX3HSP90AA1POLBHSP90AB1
SCHEMBL18838115 0.75 SMN1; SMN2 (0.44) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL6599385 0.71 CYP11B1 (0.48) HSP90AA1HSP90AB1THRB
Hydrochloric Acid SCHEMBL6600884 0.70 CYP11B1 (0.40) ALDH1A1HTTSMN1; SMN2
SCHEMBL21339995 0.69 HDAC6 (0.56) LMNAPOLBMAPTALDH1A1KDM4E
SCHEMBL2467025 0.68 SRC (0.37) LMNAMAPTALDH1A1HTTKDM4E
SCHEMBL18838185 0.68 RAB9A (0.48) LMNAPOLBMAPTALDH1A1HTT
SCHEMBL16841638 0.67 CYP11B1 (0.52) HSP90AA1HSP90AB1MAPTALDH1A1KDM4E
SCHEMBL16199218 0.65 LMNA (0.70) LMNAPOLBMAPTALDH1A1KDM4E
SCHEMBL3911396 0.65 TP53 (0.53) LMNAPOLBMAPTALDH1A1HTT

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
EP-3374350-B1 HYDROXYPYRIDINONE AND HYDROXYPYRIMIDINONE BASED COMPOUNDS FOR TREATING BACTERIAL INFECTIONS FORGE THERAPEUTICS INC (US) 2022-01-05 — — EP disclosed
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

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 LMNA 4118/4885P2RX3 284/4885HSP90AA1 1692/4885
US-10414735-B2 Substituted hydroxypyrimidinones for treating bacterial infections ALPI, HPGDS, SDHB LMNA 4193/4885P2RX3 1182/4885HSP90AA1 347/4885
US-10875832-B2 Substituted pyrimidines for treating bacterial infections UMPS, DPYD, TYMP LMNA 4080/4885P2RX3 196/4885HSP90AA1 1870/4885

“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