SCHEMBL959596

SCHEMBL959596

Nc1nn(Cc2cccc(Cl)c2)c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.40
PTGER4 P35408 1/20 0.40
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
GRIN2B Q13224 2/20 0.39
GRIN1 Q05586 1/20 0.39
ADORA2A P29274 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL960723 0.90 SMN1; SMN2 (0.44) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL14288003 0.84 PTGER4 (0.53) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL958843 0.78 MAPT (0.45) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL958904 0.77 PDE5A (0.40) PDE5ASMN1; SMN2MAPTTP53POLB
SCHEMBL958903 0.77 PDE5A (0.40) PDE5ASMN1; SMN2MAPTTP53POLB
SCHEMBL17205820 0.77 KMT2A (0.46) PDE5AMAPTPOLBMEN1KMT2A
SCHEMBL959466 0.75 CPT1A (0.51) PDE5AMAPTPOLBMEN1LMNA
SCHEMBL3788156 0.75 PTGER4 (0.50) SMN1; SMN2MAPTMEN1LMNAHPGD
SCHEMBL6224032 0.75 PDE5A (0.83) PDE5ASMN1; SMN2MAPTTP53LMNA
SCHEMBL14288005 0.74 CNR1 (0.50) SMN1; SMN2TP53MEN1KMT2APTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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 (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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 PDE5A 979/4885SMN1; SMN2 3238/4885MAPT 1763/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 PDE5A 979/4885SMN1; SMN2 3238/4885MAPT 1763/4885

“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.