SCHEMBL2553055

SCHEMBL2553055

O=C1c2ccccc2C(=O)N1c1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CASP6 P55212 1/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
PGR P06401 1/20 0.62
MGLL Q99685 1/20 0.60
NR1H3 Q13133 2/20 0.59
SCN2A Q99250 1/20 0.57
GRM5 P41594 2/20 0.53
ESR1 P03372 1/20 0.51
HTT P42858 1/20 0.50
NR1H2 P55055 1/20 0.50

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
SCHEMBL2884641 0.89 MEN1 (0.62) KDM4EALDH1A1SMN1; SMN2CASP6MEN1
SCHEMBL9358156 0.89 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2CASP6MEN1
SCHEMBL725608 0.87 NR1H3 (0.67) ALDH1A1MEN1KMT2AMGLLNR1H3
SCHEMBL17946142 0.85 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2CASP6MEN1
SCHEMBL726842 0.85 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2CASP6MEN1
SCHEMBL11616740 0.83 MEN1 (0.70) KDM4EALDH1A1SMN1; SMN2CASP6MEN1
SCHEMBL11649332 0.83 MGLL (0.64) KDM4EALDH1A1SMN1; SMN2CASP6MEN1
SCHEMBL6581387 0.83 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2CASP6MEN1
SCHEMBL17326723 0.83 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2CASP6MEN1
SCHEMBL28378925 0.82 CASP6 (0.52) KDM4EALDH1A1SMN1; SMN2CASP6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466799-B N-substituted phthalic acid diamide preparation method of imine compound 西北师范大学 2024-12-24 CN disclosed
CN-117466799-A Preparation method of N-substituted phthalimide compound 西北师范大学 2024-01-30 CN disclosed
WO-2011121062-A1 COMPOSITION FOR THE TREATMENT OF PERIODONTITIS AND OTHER INFLAMMATORY INFECTIOUS DISEASES VOCKNER HELMUT (AT) 2011-10-06 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
CN-100537032-C Phosphazenium salt phase transfer catalysts GEN ELECTRIC (NL) 2009-09-09 CN disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
CN-101125300-A Phosphazenium salt phase transfer catalysts GEN ELECTRIC (US) 2008-02-20 CN disclosed
US-4054654-A ANTIARRHYTHMIA AGENTS RHONE-POULENC, S.A. (FR) 1977-10-18 US disclosed
US-3987174-A ANTIARRHYTHMIA AGENTS RHONE-POULENC S.A. (FR) 1976-10-19 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 (1 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KDM4E 2606/4885ALDH1A1 4339/4885SMN1; SMN2 4524/4885

“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.