SCHEMBL5512985

SCHEMBL5512985

COc1ccc(C(O)c2cccc(F)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 1/20 0.42
NFE2L2 Q16236 1/20 0.42
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AOC3 Q16853 1/20 0.39
PDE4A P27815 1/20 0.39
BRD4 O60885 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 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
SCHEMBL22867983 0.87 LMNA (0.51) LMNAMEN1KMT2ARAB9AMAPK1
SCHEMBL20862602 0.80 CES2 (0.46) NFE2L2CES2CES1BRD4SLC6A2
SCHEMBL14415662 0.80 PDE4A (0.46) LMNAMEN1KMT2APTGS1NFE2L2
SCHEMBL4823346 0.79 PTGS2 (0.43) LMNAMEN1KMT2ARAB9AMAPK1
SCHEMBL14415719 0.79 SLC6A2 (0.44) LMNAPTGS1NFE2L2RAB9ACES2
SCHEMBL227352 0.79 CES2 (0.55) CES2CES1BRD4SLC6A2SLC6A4
SCHEMBL230701 0.79 NFE2L2 (0.51) MEN1KMT2ANFE2L2RAB9ANPC1
SCHEMBL23882762 0.78 CYP17A1 (0.48) LMNAMEN1KMT2ARAB9AMAPK1
SCHEMBL23882763 0.78 CYP17A1 (0.48) LMNAMEN1KMT2ARAB9AMAPK1
SCHEMBL7372304 0.77 NPC1 (0.48) MEN1KMT2ARAB9AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7087765-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2006-08-08 US disclosed
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
US-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. 2004-09-02 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20020004522-A1 Nervous system disorders NPS PHARMACEUTICALS, INC. 2002-01-10 US disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6017965-A TREATING STROKE, HEAD TRAUMA, SPINAL CORD INJURY, SPINAL CORD ISCHEMIA, ISCHEMIA- OR HYPOXIA-INDUCED NERVE CELL DAMAGE, EPILEPSY, ANXIETY, NEUROPSYCHIATRIC OR COGNITIVE DEFICITS DUE TO ISCHEMIA OR HYPOXIA NPS PHARMACEUTICALS, INC. (US) 2000-01-25 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 (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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D LMNA 723/4885MEN1 4690/4885KMT2A 3335/4885
US-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D LMNA 723/4885MEN1 4690/4885KMT2A 3335/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB LMNA 176/4885MEN1 3316/4885KMT2A 1100/4885

“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.