SCHEMBL362441

SCHEMBL362441

CNC(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
POLB P06746 1/20 0.62
ATM Q13315 1/20 0.62
SLC6A3 Q01959 1/20 0.58
HPGD P15428 2/20 0.57
BRD4 O60885 1/20 0.53
TACR1 P25103 3/20 0.50
HTT P42858 2/20 0.50
ALPL P05186 1/20 0.49
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL9538880 0.86 ATM (0.81) LMNAPOLBATMSLC6A3HTT
SCHEMBL2049574 0.84 HPGD (0.59) LMNAPOLBATMSLC6A3HPGD
SCHEMBL8257597 0.84 ATM (0.58) LMNAATMSLC6A3L3MBTL1SMN1; SMN2
SCHEMBL6336570 0.84 ATM (0.58) LMNAATMSLC6A3L3MBTL1SMN1; SMN2
SCHEMBL13234917 0.84 ATM (0.51) LMNAPOLBATMSLC6A3HPGD
SCHEMBL6690257 0.82 ATM (0.57) LMNAPOLBATMSLC6A3HPGD
SCHEMBL22950648 0.82 ATM (0.57) LMNAPOLBATMSLC6A3HPGD
SCHEMBL11097152 0.82 ATM (0.57) LMNAPOLBATMSLC6A3HPGD
SCHEMBL13544537 0.82 SMN1; SMN2 (0.62) LMNAPOLBATMSLC6A3L3MBTL1
SCHEMBL8333167 0.81 ATM (0.73) POLBATMSLC6A3HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920647-A Novel synthesis process of intermediate side chain alcohol of medicine for treating primary hypertension 苏州虞美景盛新药开发有限公司 2022-08-19 CN claimed
CN-114920647-A Novel synthesis process of intermediate side chain alcohol of medicine for treating primary hypertension 苏州虞美景盛新药开发有限公司 2022-08-19 CN disclosed
CN-114920647-A Novel synthesis process of intermediate side chain alcohol of medicine for treating primary hypertension 苏州虞美景盛新药开发有限公司 2022-08-19 CN disclosed
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
CN-103153945-B 1-oximino-3-phenyl-propanes HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-7504431-B2 Sulfonyl amide inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-17 US disclosed
US-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function BRISTOL- MYERS SQUIBB COMPANY 2005-11-03 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 (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-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function CACNA1F, CACNA1A, CACNA1D LMNA 535/4885POLB 4812/4885ATM 4315/4885
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 LMNA 1220/4885POLB 3485/4885ATM 2073/4885

“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.