SCHEMBL799134

SCHEMBL799134

CC(C)c1ccn(C)c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
HDAC4 P56524 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TYR P14679 2/20 0.38
RNASEH1 O60930 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MDM4 O15151 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CA5A P35218 1/20 0.38
HTT P42858 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17981958 0.83 PTGS2 (0.37) PTGS2KDM4EHDAC6TUBB4ATUBB
SCHEMBL19002518 0.83 TUBB4A (0.38) PTGS2KDM4EHDAC6TUBB4ATUBB
SCHEMBL22214088 0.83 PTGS2 (0.37) PTGS2KDM4EHDAC6TUBB4ATUBB
SCHEMBL21138968 0.81 PTGS2 (0.38) PTGS2KDM4EHDAC6TUBB4ATUBB
SCHEMBL25884992 0.80 HDAC4 (0.45) PTGS2HDAC4HDAC8HPGDALDH1A1
SCHEMBL18650826 0.80 RXRA (0.47) HDAC4HDAC8HPGDALDH1A1TYR
SCHEMBL26698299 0.79 PTGS2 (0.64) PTGS2HPGDALDH1A1KDM4ECYP3A4
SCHEMBL21983488 0.77 HDAC6 (0.33) PTGS2CYP3A4HDAC6TUBB4ATUBB
SCHEMBL21998501 0.77 IDH1 (0.42) PTGS2HDAC4HDAC8HPGDALDH1A1
SCHEMBL11317932 0.77 PTGS2 (0.49) PTGS2HDAC4HDAC8HPGDALDH1A1

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 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
WO-2024084448-A2 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS DONG-A ST CO., LTD. (KR) 2024-04-25 WO disclosed
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
EP-4328219-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-02-28 EP disclosed
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20230373952-A1 LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-11-23 US disclosed
US-20230373952-A1 LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-11-23 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
WO-2010123451-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2010-10-28 WO disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 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 (12 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 PTGS2 1567/4885HDAC4 655/4885HDAC8 740/4885
US-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 PTGS2 2336/4885HDAC4 36/4885HDAC8 121/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 PTGS2 1178/4885HDAC4 142/4885HDAC8 160/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 PTGS2 1567/4885HDAC4 655/4885HDAC8 740/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 PTGS2 4015/4885HDAC4 2732/4885HDAC8 2211/4885
US-20100249163-A1 RENIN INHIBITORS REN, ACE, AGTR1 PTGS2 445/4885HDAC4 1208/4885HDAC8 1072/4885
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 PTGS2 170/4885HDAC4 794/4885HDAC8 1486/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 PTGS2 2336/4885HDAC4 36/4885HDAC8 121/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 PTGS2 1567/4885HDAC4 655/4885HDAC8 740/4885
US-20230373952-A1 LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNK3, KCNA3, KCNJ2 PTGS2 4456/4885HDAC4 1422/4885HDAC8 1360/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A PTGS2 4216/4885HDAC4 397/4885HDAC8 144/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF PTGS2 4616/4885HDAC4 1771/4885HDAC8 2170/4885

“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.