SCHEMBL958441

SCHEMBL958441

CC(C)(C)OC(=O)Nc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.51
PSMB8 P28062 1/20 0.49
MAP4K4 O95819 1/20 0.46
NAMPT P43490 1/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
BRD4 O60885 2/20 0.41
CREBBP Q92793 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC10 Q969S8 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
CHRM1 P11229 1/20 0.39
PRKDC P78527 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
BCL2 P10415 1/20 0.39
BECN1 Q14457 1/20 0.39
SREBF2 Q12772 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
SCHEMBL12892198 0.80 SMN1; SMN2 (0.56) BRD4
SCHEMBL6414096 0.79 USP30 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL20865536 0.79 CYP17A1 (0.68) CYP17A1PSMB8MAP4K4NAMPTHDAC1
SCHEMBL9315202 0.78 HPSE (0.40)
SCHEMBL9923449 0.78 AKT1 (0.47) PSMB8
SCHEMBL13055402 0.77 CYP17A1 (0.59) CYP17A1PSMB8MAP4K4NAMPT
SCHEMBL18281980 0.77 HPSE (0.37)
SCHEMBL3880312 0.76 HDAC3 (0.56) NAMPTHDAC3HDAC8HDAC6
SCHEMBL15000453 0.76 RAB9A (0.51)
Andolast SCHEMBL166170 0.76 XDH (0.51)

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 9 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
EP-0775133-B1 NAPHTHALENE AMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2001-05-30 EP disclosed
EP-0775133-A1 NAPHTHALENE AMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-05-28 EP disclosed
WO-1996004267-A1 NAPHTHALENE AMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1996-02-15 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CYP17A1 565/4885PSMB8 4691/4885MAP4K4 4265/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CYP17A1 565/4885PSMB8 4691/4885MAP4K4 4265/4885

“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.