SCHEMBL6793352

SCHEMBL6793352

NC(=O)N(c1[c]cccc1)c1ccc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.41
MGAM O43451 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PRNP P04156 3/20 0.35
RXFP1 Q9HBX9 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
CNR2 P34972 1/20 0.35
CYP1A2 P05177 3/20 0.35
NOS2 P35228 1/20 0.34
BACE1 P56817 1/20 0.34
MAPK10 P53779 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RAB9A P51151 2/20 0.34
IKBKB O14920 1/20 0.34
NPC1 O15118 1/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL14836709 0.83 NCF1 (0.53) NCF1MGAMALDH1A1GAAMAPT
Sulfuric Acid SCHEMBL28323949 0.78 NCF1 (0.47) NCF1MGAMALDH1A1GAAMAPT
SCHEMBL6797251 0.75 HTT (0.42) ALDH1A1MAPTKDM4ENPSR1RAB9A
SCHEMBL1416436 0.72 NPSR1 (0.45) ALDH1A1GAAMAPTNPSR1RAB9A
SCHEMBL28341084 0.72 NCF1 (0.52) NCF1MGAMALDH1A1GAAMAPT
SCHEMBL6798273 0.71 SIGMAR1 (0.42) ALDH1A1GAAKDM4EALOX5
SCHEMBL2781511 0.71 NCF1 (0.50) NCF1MGAMALDH1A1GAAMAPT
SCHEMBL5994906 0.71 SIGMAR1 (0.36) ALDH1A1KDM4ENPSR1ALOX5LMNA
SCHEMBL6798623 0.69 CYP3A4 (0.32) KDM4EALOX5
SCHEMBL6709580 0.69 ALOX5 (0.40) NCF1ALDH1A1GAAPRNPRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US claimed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 NCF1 4635/4885MGAM 4098/4885ALDH1A1 339/4885

“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.