SCHEMBL3337166

SCHEMBL3337166

CC/C(C=O)=C/c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
AKR1C3 P42330 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1I2 O75469 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
AKR1C1 Q04828 1/20 0.44
KDM1A O60341 1/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 1/20 0.42
FBP1 P09467 1/20 0.41
CYP2A6 P11509 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
SCHEMBL8924634 1.00 LMNA (0.66) LMNATDP1ALDH1A1TSHRAKR1C3
SCHEMBL629156 1.00 LMNA (0.66) LMNATDP1ALDH1A1TSHRAKR1C3
SCHEMBL28363417 0.86 LMNA (0.51) LMNATDP1ALDH1A1TSHRAKR1C3
SCHEMBL17444731 0.84 LMNA (0.77) LMNATDP1ALDH1A1TSHRAKR1C3
SCHEMBL20424858 0.84 LMNA (0.77) LMNATDP1ALDH1A1TSHRAKR1C3
SCHEMBL24352196 0.83 ALDH1A1 (0.61) LMNATDP1ALDH1A1TSHRAKR1C3
SCHEMBL22423775 0.82 CYP2A6 (0.46) LMNATDP1ALDH1A1TSHRAKR1C3
SCHEMBL574972 0.82 CYP2A6 (0.46) LMNATDP1ALDH1A1TSHRAKR1C3
SCHEMBL574971 0.82 CYP2A6 (0.46) LMNATDP1ALDH1A1TSHRAKR1C3
SCHEMBL113478 0.81 LMNA (0.90) LMNATDP1ALDH1A1TSHRAKR1C3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303372-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BHAMAS LTD. (BS) 2014-10-09 US disclosed
US-8722887-B2 Sulfonylpyrazole and sulfonylpyrazoline carboxamidine derivatives as 5-HT6 antagonists Abbvie Bahamas, Ltd. (BS) 2014-05-13 US disclosed
CN-101679279-B Sulfonylpyrazole and sulfonylpyrazoline carboxamidine derivatives as 5-ht6 antagonists SOLVAY PHARM BV 2013-11-13 CN disclosed
EP-2069310-B1 SULFONYLPYRAZOLINE-1-CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-12-14 EP disclosed
US-20100145042-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. 2010-06-10 US disclosed
US-7728018-B2 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2010-06-01 US disclosed
CN-101679279-A As 5-HT 6The sulphonyl pyrazoline carboxamidine derivatives of antagonist SOLVAY PHARM BV 2010-03-24 CN disclosed
EP-2069310-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS Solvay Pharmaceuticals B.V. (NL) 2009-06-17 EP disclosed
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders ABBOTT HOSPITALS LIMITED (BS) 2008-12-18 US disclosed
WO-2008034863-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-03-27 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-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders HTR6, HCRTR2, HTR2C LMNA 4070/4885TDP1 1609/4885ALDH1A1 1398/4885
US-20100145042-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 LMNA 4630/4885TDP1 1317/4885ALDH1A1 2158/4885
US-20140303372-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 LMNA 4630/4885TDP1 1317/4885ALDH1A1 2158/4885

“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.