SCHEMBL4909972

SCHEMBL4909972

O=C(Nc1c[c]ccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.68
KCNK3 O14649 2/20 0.67
P2RX1 P51575 2/20 0.66
PTGS1 P23219 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 1/20 0.64
KCNK9 Q9NPC2 1/20 0.62
RXFP1 Q9HBX9 1/20 0.58
KCNQ3 O43525 2/20 0.57
KCNQ2 O43526 2/20 0.57
KCNE1 P15382 2/20 0.57
KCNQ1 P51787 2/20 0.57
KCNQ5 Q9NR82 1/20 0.57
TSHR P16473 1/20 0.54
POLB P06746 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL26985985 0.86 MAPT (0.58) LMNAMAPTKCNK3P2RX1PTGS1
SCHEMBL27759009 0.85 LMNA (0.76) LMNAMAPTKCNK3P2RX1PTGS1
SCHEMBL4286068 0.84 MAPT (0.94) LMNAMAPTKCNK3P2RX1PTGS1
SCHEMBL4517587 0.83 LMNA (1.00) LMNAMAPTKCNK3P2RX1PTGS1
SCHEMBL30739929 0.83 LMNA (1.00) LMNAMAPTKCNK3P2RX1PTGS1
SCHEMBL27946687 0.82 KMT2A (0.64) LMNAKCNK3MEN1KMT2AHTT
SCHEMBL2888312 0.81 NPC1 (0.53) MAPTP2RX1HTTRAB9ATSHR
SCHEMBL5227631 0.80 P2RX1 (1.00) LMNAMAPTKCNK3P2RX1PTGS1
SCHEMBL3709728 0.79 MEN1 (0.64) LMNAMAPTKCNK3P2RX1PTGS1
SCHEMBL874391 0.79 KCNQ3 (0.55) LMNAMAPTKCNK3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105916850-A Substituted dialkyl(oxido)- Lambda 4-sulfanylidene nicotinamide derivatives as kinase inhibitors 阿勒根公司 2016-08-31 CN disclosed
CN-103842332-A Cyclopropaneamine compound TAKAEDA CHEMICAL IND LTD 2014-06-04 CN disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 LMNA 4314/4885MAPT 4853/4885KCNK3 392/4885

“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.