SCHEMBL3709985

SCHEMBL3709985

O=Cc1ccnc2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.56
SOS2 Q07890 1/20 0.56
CCR1 P32246 2/20 0.53
CCR5 P51681 1/20 0.53
CCR8 P51685 1/20 0.53
TDP1 Q9NUW8 3/20 0.50
CYP1A2 P05177 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PRNP P04156 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CHKA P35790 1/20 0.46
FERMT2 Q96AC1 1/20 0.45

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
SCHEMBL3252945 0.87 NR4A2 (0.58) NR4A2SOS2CCR1CCR5CCR8
SCHEMBL1496336 0.80 CCR1 (0.50) NR4A2SOS2CCR1CCR5CCR8
SCHEMBL5591942 0.80 GRM4 (0.47) NR4A2SOS2CCR1TDP1CYP1A2
SCHEMBL8764571 0.79 CCR1 (0.53) CCR1CCR5CCR8TDP1LMNA
SCHEMBL1496369 0.79 CCR1 (0.53) CCR1CCR5CCR8CYP1A2ALDH1A1
SCHEMBL11744477 0.79 CCR1 (0.53) NR4A2SOS2CCR1CCR5CCR8
SCHEMBL8057207 0.76 CNR1 (0.67) NR4A2SOS2CYP1A2LMNAMAPT
SCHEMBL8057209 0.76 CNR1 (0.67) NR4A2SOS2CYP1A2LMNAMAPT
SCHEMBL12833547 0.76 TLR8 (0.67) NR4A2SOS2TDP1LMNASMN1; SMN2
SCHEMBL1147593 0.76 NR4A2 (0.61) NR4A2SOS2CCR1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2018367-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-18 EP disclosed
WO-2007134799-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-11-29 WO disclosed
WO-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 WO disclosed
US-5510338-A ADMINISTERING TO A MAMMAL TO RELIEVE PAIN AND TO TREAT CONVULSIONS, CEREBRAL ISCHEMIC DAMAGE, AND EMESIS GUILFORD PHARMACEUTICALS INC. (US) 1996-04-23 US disclosed
US-5342946-A Phosphonoalkylquinolin-2-ones as novel antagonists of non-NMDA ionotropic excitatory amino acid receptors GUILFORD PHARMACEUTICALS INC. (US) 1994-08-30 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-20100022570-A1 NOVEL MICROBIOCIDES QSOX1, MSR1, NOX1 NR4A2 1441/4885SOS2 3203/4885CCR1 56/4885

“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.