SCHEMBL6796771

SCHEMBL6796771

CC(=O)Nc1ccc(-c2cccc(N)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HDAC1 Q13547 5/20 0.57
AOC3 Q16853 2/20 0.54
HDAC3 O15379 2/20 0.54
HDAC2 Q92769 2/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAOA P21397 1/20 0.50
MAP4K4 O95819 1/20 0.49
CYP17A1 P05093 1/20 0.49
CYP11B1 P15538 1/20 0.49

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
SCHEMBL6798003 0.88 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8577619 0.84 SMN1; SMN2 (0.70) ALDH1A1HTTSMN1; SMN2L3MBTL1MEN1
SCHEMBL27112932 0.83 MAOA (0.50) ALDH1A1HTTSMN1; SMN2L3MBTL1HDAC1
SCHEMBL4654909 0.83 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2L3MBTL1HDAC1
SCHEMBL3225408 0.82 SMN1; SMN2 (0.79) ALDH1A1HTTSMN1; SMN2L3MBTL1HDAC1
SCHEMBL8265472 0.81 HSD17B10 (0.66) ALDH1A1HTTSMN1; SMN2L3MBTL1HDAC1
SCHEMBL374432 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2L3MBTL1HDAC1HDAC3
SCHEMBL29557251 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2L3MBTL1HDAC1HDAC3
SCHEMBL23576901 0.80 HTT (0.63) ALDH1A1HTTSMN1; SMN2L3MBTL1HDAC1
SCHEMBL9293265 0.80 IDO1 (0.64) ALDH1A1HTTSMN1; SMN2L3MBTL1HDAC1

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-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
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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 ALDH1A1 339/4885HTT 643/4885SMN1; SMN2 3337/4885

“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.