SCHEMBL470309

SCHEMBL470309

CN(C)Cc1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
HDAC3 O15379 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP2A6 P11509 3/20 0.52
CYP2A13 Q16696 1/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 1/20 0.50
ALDH1A3 P47895 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH3A1 P30838 1/20 0.48
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TYR P14679 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
BRD4 O60885 1/20 0.41
BRD9 Q9H8M2 1/20 0.41

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
Hydrochloric Acid SCHEMBL5778800 0.98 HRH3 (0.54) HRH3HDAC3HDAC6CYP2A6CYP2A13
Benzene SCHEMBL28037716 0.94 ALDH1A1 (0.56) HRH3HDAC3HDAC6CYP2A6CYP2A13
Hydrochloric Acid SCHEMBL9442706 0.92 HRH3 (0.65) HRH3HDAC3HDAC6CYP2A6CYP2A13
SCHEMBL22614018 0.89 HRH3 (0.45) HRH3HDAC3HDAC6CYP2A6CYP2A13
SCHEMBL23902845 0.87 HDAC3 (0.44) HRH3HDAC3HDAC6CYP2A6CYP2A13
SCHEMBL13480470 0.83 CYP2A6 (0.48) HRH3HDAC3HDAC6CYP2A6CYP2A13
SCHEMBL23911919 0.83 CYP2A6 (0.48) HRH3HDAC3HDAC6CYP2A6CYP2A13
SCHEMBL6206033 0.82 ALDH1A1 (0.46) HRH3HDAC3HDAC6CYP2A6CYP2A13
SCHEMBL2043393 0.80 HRH3 (0.61) HRH3HDAC6CYP2A6CYP2A13ALDH1A1
SCHEMBL659509 0.80 HRH3 (0.82) HRH3HDAC3HDAC6ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118925523-A Anti-biodegradation water-stable acetate fiber filtering membrane and preparation method thereof 河南崇鑫净化材料有限公司 2024-11-12 CN claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
JP-3099094-A None JP disclosed
CN-118925523-A Anti-biodegradation water-stable acetate fiber filtering membrane and preparation method thereof 河南崇鑫净化材料有限公司 2024-11-12 CN disclosed
CN-118925523-A Anti-biodegradation water-stable acetate fiber filtering membrane and preparation method thereof 河南崇鑫净化材料有限公司 2024-11-12 CN disclosed
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2022-06-21 US disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 US disclosed
US-11168084-B2 Purine based compounds as toll-like receptor 9 antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-11-09 US disclosed
US-20030004148-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2003-01-02 US disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed
JP-H0399094-A LIQUID CRYSTAL-NATURED ESTER FROM ORGANIC ACID AND TRITERPENE ALCOHOL SHIRATORI SEIYAKU KK 1991-04-24 JP disclosed
US-4762845-A BACTERICIDES ABBOTT LABORATORIES (US) 1988-08-09 US disclosed
EP-0039989-B1 PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-08-29 EP disclosed
US-4388317-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-14 US disclosed
EP-0039989-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-18 EP 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 (6 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-11168084-B2 Purine based compounds as toll-like receptor 9 antagonist TLR9, TLR1, TLR7 HRH3 200/4885HDAC3 3664/4885HDAC6 4130/4885
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 HRH3 1620/4885HDAC3 99/4885HDAC6 132/4885
US-20030004148-A1 Regulation of meiosis ALPG, MNS1, BUB1B HRH3 3595/4885HDAC3 1300/4885HDAC6 1372/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 HRH3 1264/4885HDAC3 1559/4885HDAC6 1030/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 HRH3 1264/4885HDAC3 1559/4885HDAC6 1030/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 HRH3 1264/4885HDAC3 1559/4885HDAC6 1030/4885

“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.