SCHEMBL5778962

SCHEMBL5778962

CN(C)Cc1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 1/20 0.45
MAOA P21397 5/20 0.45
MAOB P27338 5/20 0.45
NOS1 P29475 1/20 0.45
HDAC4 P56524 1/20 0.43
MEF2D Q14814 1/20 0.43
HTR7 P34969 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
UNG P13051 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
TAAR1 Q96RJ0 2/20 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
SCHEMBL6406763 0.81 ACHE (0.47) ALDH1A1ACHEMAOAMAOBHRH3
SCHEMBL5015052 0.81 TAAR1 (0.56) ALDH1A1ACHEMAOAMAOBHTR7
SCHEMBL13280625 0.81 ALDH3A1 (0.42) ALDH1A1ACHEMAOAMAOBNPC1
SCHEMBL1315024 0.81 TAAR1 (0.51) HTR7HRH3TAAR1
SCHEMBL660575 0.81 MEN1 (0.44) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL18002715 0.81 MAOA (0.46) ALDH1A1MAOAMAOBRAB9AUNG
SCHEMBL30456168 0.81 TP53 (0.48) ALDH1A1TSHRACHENOS1HDAC4
SCHEMBL610852 0.81 TP53 (0.48) ALDH1A1TSHRACHENOS1HDAC4
SCHEMBL5915860 0.80 PDCD1 (0.41) ALDH1A1ACHEMAOAMAOBUNG
SCHEMBL15650774 0.80 MAOA (0.39) ALDH1A1ACHEMAOAMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP claimed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO claimed
WO-2023010191-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO 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-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
CN-1277809-C Benzal indone and benzyl indone derivative(s), and its preparing method and use UNIV ZHEJIANG (CN) 2006-10-04 CN disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
CN-1709860-A Benzal indone and benzyl indone derivative(s), and its preparing method and use UNIV ZHEJIANG (CN) 2005-12-21 CN disclosed
US-20050222098-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2005-10-06 US disclosed
WO-1998008492-A1 TRANSDERMAL DELIVERY OF PEPTIDES NOVO NORDISK A/S (DK) 1998-03-05 WO disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed
CN-1151164-A Sterol derivatives used for regulation of meiosis NOVO NORDISK AS (DK) 1997-06-04 CN disclosed
EP-0767798-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1997-04-16 EP disclosed
WO-1996000235-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1996-01-04 WO 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 (2 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-20050222098-A1 Regulation of meiosis ALPG, MNS1, BUB1B ALDH1A1 2659/4885TSHR 4376/4885ACHE 4254/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT ALDH1A1 1541/4885TSHR 1807/4885ACHE 1530/4885

“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.