SCHEMBL6076756

SCHEMBL6076756

CON=C(C)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
PTBP1 P26599 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CYP1A2 P05177 2/20 0.54
RAB9A P51151 2/20 0.47
METTL3 Q86U44 1/20 0.46
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL16202051 1.00 LMNA (0.66) LMNAPTBP1SMN1; SMN2CYP1A2RAB9A
SCHEMBL12750110 0.89 LMNA (0.48) LMNAPTBP1SMN1; SMN2CYP1A2MAPT
SCHEMBL6449347 0.80 SMN1; SMN2 (0.47) LMNAPTBP1SMN1; SMN2CYP1A2RAB9A
SCHEMBL8220014 0.80 LMNA (0.42) LMNAPTBP1SMN1; SMN2CYP1A2MAPT
SCHEMBL12603677 0.80 CYP1A2 (0.51) LMNAPTBP1SMN1; SMN2CYP1A2RAB9A
SCHEMBL16322214 0.80 CA12 (0.45) LMNAPTBP1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL16440164 0.80 CYP1A2 (0.51) LMNAPTBP1SMN1; SMN2CYP1A2RAB9A
SCHEMBL6815200 0.80 CYP1A2 (0.51) LMNAPTBP1SMN1; SMN2CYP1A2RAB9A
SCHEMBL13514454 0.80 LMNA (0.42) LMNAPTBP1SMN1; SMN2CYP1A2MAPT
SCHEMBL12757030 0.80 CA12 (0.45) LMNAPTBP1SMN1; SMN2CYP1A2ALDH1A1

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-107739322-B Synthetic method of sulfonamide compound 济南大学 2020-06-23 CN claimed
CN-107739322-B Synthetic method of sulfonamide compound 济南大学 2020-06-23 CN disclosed
CN-101985424-B Method for synthesizing o-nitroacetophenone compound UNIV ZHEJIANG TECHNOLOGY 2013-05-29 CN disclosed
CN-101985424-A Method for synthesizing o-nitroacetophenone compound UNIV ZHEJIANG TECHNOLOGY 2011-03-16 CN disclosed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 US disclosed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 WO disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase ACSS2, ARSA, ASS1 LMNA 4275/4885PTBP1 2768/4885SMN1; SMN2 3245/4885
US-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF LMNA 3521/4885PTBP1 1567/4885SMN1; SMN2 4612/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 LMNA 2590/4885PTBP1 2088/4885SMN1; SMN2 3234/4885

“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.