SCHEMBL5780559

SCHEMBL5780559

Cc1cc(N)c(Br)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
NCF1 P14598 1/20 0.41
NR4A2 P43354 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
UHRF1 Q96T88 1/20 0.38
TERT O14746 1/20 0.37
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 2/20 0.33
IDO1 P14902 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL27602025 0.77 NCF1 (0.38) LMNANCF1NR4A2NOS3NOS1
SCHEMBL31042951 0.77 NR4A2 (0.43) LMNANCF1NR4A2NOS3NOS1
SCHEMBL29257731 0.77 LMNA (0.41) LMNANR4A2UHRF1TERTCYP3A4
SCHEMBL19047126 0.75 NCF1 (0.43) NCF1NR4A2NOS3NOS1NOS2
SCHEMBL9383607 0.75 NCF1 (0.43) NCF1NR4A2NOS3NOS1NOS2
SCHEMBL14853216 0.75 KDM4E (0.41) LMNANOS3NOS1NOS2UHRF1
SCHEMBL31042943 0.74 POLB (0.36) NCF1NR4A2NOS3NOS1NOS2
SCHEMBL5780985 0.73 LMNA (0.38) LMNATERTKDM4E
SCHEMBL9209139 0.71 NCF1 (0.41) NCF1NR4A2NOS3NOS1NOS2
SCHEMBL9215463 0.71 NR4A2 (0.48) LMNANCF1NR4A2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384789-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2025-08-12 US disclosed
CN-111065626-B Compounds for the treatment of huntington's disease PTC医疗公司 2024-09-27 CN disclosed
EP-3634953-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-01-03 EP disclosed
EP-4151627-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-03-22 EP disclosed
US-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2022-08-11 US disclosed
US-11407753-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2020-05-28 US disclosed
CN-111065626-A Compounds for the treatment of huntington's chorea PTC医疗公司 2020-04-24 CN disclosed
EP-3634953-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2020-04-15 EP disclosed
WO-2018226622-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2018-12-13 WO disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
CN-101948425-A As the compound of glucocorticoid ligands, the pharmaceutical composition that comprises them, test kit and preparation method thereof BOEHRINGER INGELHEIM PHARMA 2011-01-19 CN disclosed
CN-1976705-B 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2,3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes BOEHRINGER INGELHEIM PHARMA 2010-09-22 CN disclosed
CN-1976705-A 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2, 3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes BOEHRINGER INGELHEIM PHARMA (US) 2007-06-06 CN disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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 (5 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R LMNA 3037/4885NCF1 1956/4885NR4A2 129/4885
US-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH LMNA 1478/4885NCF1 3101/4885NR4A2 2878/4885
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH LMNA 1478/4885NCF1 3101/4885NR4A2 2878/4885
US-11407753-B2 Compounds for treating Huntington's disease HTT, HYPK, FH LMNA 1478/4885NCF1 3101/4885NR4A2 2878/4885
US-12384789-B2 Compounds for treating Huntington's disease HTT, HYPK, FH LMNA 1478/4885NCF1 3101/4885NR4A2 2878/4885

“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.