SCHEMBL1330449

SCHEMBL1330449

CC(C)Oc1ccc(Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
AAK1 Q2M2I8 2/20 0.40
APLNR P35414 2/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL1821524 0.84 LMNA (0.40) SLC6A4LMNASMN1; SMN2NPC1NFKB1
SCHEMBL31537431 0.84 LMNA (0.40) SLC6A4LMNASMN1; SMN2NPC1NFKB1
SCHEMBL29517897 0.82 SLC6A4 (0.47) SLC6A4ALDH1A1POLBAAK1APLNR
SCHEMBL246292 0.82 SLC6A4 (0.47) SLC6A4ALDH1A1POLBAAK1APLNR
SCHEMBL22805171 0.80 SLC6A4 (0.44) SLC6A4LMNASMN1; SMN2NPC1NFKB1
SCHEMBL22805172 0.80 SLC6A4 (0.44) SLC6A4LMNASMN1; SMN2NPC1NFKB1
SCHEMBL13443203 0.80 SLC6A4 (0.44) SLC6A4LMNASMN1; SMN2NPC1NFKB1
SCHEMBL5745812 0.79 MEN1 (0.50) SLC6A4ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9259271 0.79 MAPK1 (0.58) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21057104 0.79 TSHR (0.49) SLC6A4LMNASMN1; SMN2NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 US disclosed
US-20210403475-A1 NOVEL SELECTIVE PI3K DELTA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 US disclosed
CN-107674073-B 3, 5-disubstituted-3H-imidazo [4,5-B ] pyridine compounds as modulators of protein kinases 印蔻真治疗公司 2021-09-10 CN disclosed
EP-3828184-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR Medshine Discovery Inc. (CN) 2021-06-02 EP disclosed
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2021-06-01 US disclosed
US-10981919-B2 Selective PI3K delta inhibitors RHIZEN PHARMACEUTICALS SA (CH) 2021-04-20 US disclosed
EP-3756686-A1 COMBINATION OF ANTI-CD20 ANTIBODY AND PI3 KINASE SELECTIVE INHIBITOR TG Therapeutics Inc. (US) 2020-12-30 EP disclosed
EP-3756686-A1 COMBINATION OF ANTI-CD20 ANTIBODY AND PI3 KINASE SELECTIVE INHIBITOR TG Therapeutics Inc. (US) 2020-12-30 EP disclosed
US-20200323981-A1 Combination of Anti-CD20 Antibody and PI3 Kinase Selective Inhibitor BLUE OWL CAPITAL CORPORATION 2020-10-15 US disclosed
US-20200323981-A1 Combination of Anti-CD20 Antibody and PI3 Kinase Selective Inhibitor BLUE OWL CAPITAL CORPORATION 2020-10-15 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
EP-1697333-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2005058848-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-06-30 WO disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 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 (8 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-20200323981-A1 Combination of Anti-CD20 Antibody and PI3 Kinase Selective Inhibitor PIK3R4, PIK3R5, PIK3R1 SLC6A4 3324/4885LMNA 3677/4885SMN1; SMN2 4043/4885
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB SLC6A4 4695/4885LMNA 2205/4885SMN1; SMN2 2748/4885
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases MAP4K2, MAP3K20, MAP3K1 SLC6A4 4850/4885LMNA 3177/4885SMN1; SMN2 4487/4885
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 SLC6A4 4777/4885LMNA 3489/4885SMN1; SMN2 3990/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 SLC6A4 4506/4885LMNA 1494/4885SMN1; SMN2 3095/4885
US-10981919-B2 Selective PI3K delta inhibitors PIK3CD, PIK3C2B, PIK3R5 SLC6A4 4781/4885LMNA 1778/4885SMN1; SMN2 2841/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 SLC6A4 4506/4885LMNA 1494/4885SMN1; SMN2 3095/4885
US-20210403475-A1 NOVEL SELECTIVE PI3K DELTA INHIBITORS PIK3CD, PIK3R5, PIK3C2B SLC6A4 4814/4885LMNA 2130/4885SMN1; SMN2 2724/4885

“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.