SCHEMBL3373348

SCHEMBL3373348

COc1cc(C(=O)Nc2ccccc2)ccn1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.74
KCNK9 Q9NPC2 2/20 0.74
LMNA P02545 2/20 0.62
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ATR Q13535 1/20 0.56
HTT P42858 1/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CTSA P10619 1/20 0.53
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
LOX P28300 3/20 0.52
LOXL2 Q9Y4K0 3/20 0.52
NLRP3 Q96P20 1/20 0.51

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
SCHEMBL18886198 0.88 KCNK3 (0.70) KCNK3KCNK9LMNANPC1RAB9A
SCHEMBL113971 0.85 KCNK9 (0.66) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL24473982 0.84 ALDH1A1 (0.60) KCNK3KCNK9LMNANPC1RAB9A
SCHEMBL30587152 0.84 ALDH1A1 (0.60) KCNK3KCNK9LMNANPC1RAB9A
SCHEMBL7635169 0.84 LOXL2 (0.67) KCNK3KCNK9LMNANPC1RAB9A
SCHEMBL10344601 0.81 CNR1 (0.63) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL15727556 0.80 LMNA (0.67) KCNK3KCNK9LMNANPC1RAB9A
SCHEMBL15238338 0.80 LMNA (0.62) KCNK3KCNK9LMNANPC1RAB9A
SCHEMBL2868172 0.80 KDM4E (0.67) KCNK3KCNK9LMNANPC1RAB9A
SCHEMBL4600459 0.80 LOXL2 (0.67) KCNK3KCNK9LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 US disclosed
EP-2029572-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007143597-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-12-13 WO disclosed
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
US-6693199-B2 DEPROTECTING CARBAMATE GROUP AND AMIDATING IN PRESENCE OF SUCH AS HYDROXYBENZOTRIAZOLE HYDRATE PROMOTER AGOURON PHARMACEUTICALS, INC. 2004-02-17 US disclosed
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827858-A ADMINISTERED TO TREAT AIDS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
EP-0741719-A4 INTERMEDIATE AND PROCESS FOR MAKING LILLY CO ELI (US) 1997-04-02 EP disclosed
EP-0741719-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 US disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 KCNK3 3123/4885KCNK9 3067/4885LMNA 2176/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 KCNK3 3123/4885KCNK9 3067/4885LMNA 2176/4885

“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.