SCHEMBL3915320

SCHEMBL3915320

N#CCCCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
SIGMAR1 Q99720 3/20 0.46
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
BRCA1 P38398 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.35
CTSK P43235 2/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL21533280 0.93 SIGMAR1 (0.50) CYP1A2SIGMAR1MAPTKDM4EMEN1
SCHEMBL6327656 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1MAPTKDM4EMEN1
SCHEMBL31538859 0.86 SIGMAR1 (0.41) CYP1A2SIGMAR1MAPTKDM4EMEN1
SCHEMBL31323884 0.85 CYP1A2 (0.42) CYP1A2SIGMAR1MAPTKDM4EMEN1
SCHEMBL8099140 0.85 CYP1A2 (0.42) CYP1A2SIGMAR1MAPTKDM4EMEN1
SCHEMBL1044132 0.85 CYP1A2 (0.42) CYP1A2SIGMAR1MAPTKDM4EMEN1
Water SCHEMBL30631495 0.82 CYP1A2 (0.39) CYP1A2SIGMAR1MAPTKDM4EMEN1
SCHEMBL1371351 0.82
SCHEMBL10818204 0.81 SIGMAR1 (0.39) CYP1A2SIGMAR1MAPTKDM4EMEN1
SCHEMBL23671825 0.78 CYP1A2 (0.36) CYP1A2SIGMAR1CTSKCTSLCTSB

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
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP disclosed
CN-100383670-C Toner, two-component developer, and image forming method MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2008-04-23 CN disclosed
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-21 US disclosed
CN-1742239-A Toner, two-component developer, and image forming method MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2006-03-01 CN disclosed
EP-1610779-A1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004093872-A1 3-OXO-1, 3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-11-04 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 (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-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors C5AR2, C3AR1, C5AR1 CYP1A2 1343/4885SIGMAR1 1312/4885MAPT 4883/4885

“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.