SCHEMBL958843

SCHEMBL958843

Nc1nn(Cc2cccc(Cl)c2)c2c(F)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
APP P05067 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PTGER4 P35408 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
SCHEMBL3782851 0.82 KDM4E (0.46) MAPTSMN1; SMN2TP53POLBMEN1
SCHEMBL14288003 0.80 PTGER4 (0.53) MAPTSMN1; SMN2TP53POLBMEN1
SCHEMBL960723 0.78 SMN1; SMN2 (0.44) MAPTSMN1; SMN2TP53POLBMEN1
SCHEMBL959596 0.78 PDE5A (0.45) MAPTSMN1; SMN2TP53POLBMEN1
SCHEMBL962443 0.77 MAPT (0.38) MAPTSMN1; SMN2TP53POLBMEN1
SCHEMBL962445 0.77 MAPT (0.38) MAPTSMN1; SMN2TP53POLBMEN1
SCHEMBL959678 0.76 HCRTR1 (0.39) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL962390 0.73 PTGER4 (0.54) ADORA2APTGER4
SCHEMBL964026 0.71 KDM4E (0.48) MAPTSMN1; SMN2TP53POLBMEN1
SCHEMBL17731471 0.69 SMN1; SMN2 (0.51) MAPTSMN1; SMN2TP53POLBMEN1

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-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US claimed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 US claimed
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 MAPT 1763/4885SMN1; SMN2 3238/4885TP53 2848/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 MAPT 1763/4885SMN1; SMN2 3238/4885TP53 2848/4885

“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.