SCHEMBL8229692

SCHEMBL8229692

CC(C)Oc1cccc([N+](=O)[O-])c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSPB1 P04792 1/20 0.44
PDK1 Q15118 1/20 0.43
RECQL P46063 2/20 0.42
TSHR P16473 2/20 0.41
GPR35 Q9HC97 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL26921663 0.87 TDP1 (0.45) TDP1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29509634 0.85 HSPB1 (0.45) TDP1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14333927 0.85 PDK1 (0.48) TDP1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12480460 0.85 HSPB1 (0.45) TDP1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1342303 0.82 ALDH1A1 (0.63) TDP1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30072983 0.81 TDP1 (0.60) TDP1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL11693495 0.81 TDP1 (0.67) TDP1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8208233 0.80 TDP1 (0.48) TDP1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2841769 0.80 TDP1 (0.48) TDP1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30126884 0.78 PDK1 (0.48) TDP1NPC1RAB9ASMN1; SMN2KMT2A

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
EP-3496715-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
EP-3496715-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
US-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 US disclosed
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 US disclosed
WO-2018034917-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
EP-1021434-A2 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND USE Krenitsky Pharmaceuticals, Inc. (US) 2000-07-26 EP disclosed
WO-1998012190-A2 PHENOXATHIIN DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE KRENITSKY PHARMACEUTICAL, INC. (US) 1998-03-26 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 (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-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease CYP27A1, CYP7A1, CYP7B1 TDP1 2108/4885NPC1 71/4885RAB9A 1271/4885
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 TDP1 2263/4885NPC1 102/4885RAB9A 956/4885

“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.