SCHEMBL473078

SCHEMBL473078

ON=C(NOc1cc(F)ccc1Br)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 3/20 0.33
PIN1 Q13526 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL27792560 0.68 KDM4E (0.40) KMT2AMEN1LMNARAB9AALDH1A1
SCHEMBL473079 0.68 PIN1 (0.37) PIN1
SCHEMBL473077 0.68 PIN1 (0.37) PIN1
SCHEMBL473065 0.68 SCD (0.48)
SCHEMBL473066 0.68 SCD (0.48)
SCHEMBL3976480 0.60 SCD (0.56)
SCHEMBL2160873 0.59 SCD (0.47) PIN1
SCHEMBL473067 0.59 SCD (0.49)
SCHEMBL6627394 0.59 HTR1A (0.41) LMNARAB9AALDH1A1NPC1HTT
SCHEMBL27524200 0.59 FFAR1 (0.46) KMT2AMEN1RAB9APIN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099793-B1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC (CA) 2012-02-01 EP disclosed
US-8063224-B2 [5-(5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)-2H-tetrazol-2-yl]acetic acid; metabolic disorders,antidiabetic, hypoglycemic agent; obesity, insulin resistance, liver steatosis, atherosclerosis, neurological disease, dyslipidemia, hyperlipidemia, low HDL, and high LDL MERCK CANADA INC. (CA) 2011-11-22 US disclosed
EP-2099793-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-09-16 EP disclosed
WO-2008064474-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-06-05 WO disclosed
US-20080132542-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-06-05 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 (1 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-20080132542-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 KMT2A 3016/4885MEN1 4567/4885LMNA 829/4885

“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.