SCHEMBL6797998

SCHEMBL6797998

O=C(Nc1[c]cccc1)c1ccc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.61
SMN1; SMN2 Q16637 10/20 0.61
NFKB1 P19838 5/20 0.61
NFKB2 Q00653 5/20 0.61
RELA Q04206 5/20 0.61
HDAC8 Q9BY41 1/20 0.58
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 1/20 0.56
NPC1 O15118 12/20 0.56
TP53 P04637 4/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.52

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
SCHEMBL8071379 0.78 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL1131467 0.76 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL13381527 0.76 HDAC8 (0.76) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL3759507 0.75 HDAC6 (0.51) RAB9ASMN1; SMN2HDAC8ALDH1A1MAPT
SCHEMBL7010475 0.74 HDAC8 (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL18530693 0.74 HDAC8 (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL28310352 0.73 RAB9A (0.79) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL2551255 0.73 ALDH1A1 (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9839810 0.73 HDAC8 (0.71) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL945400 0.72 RAB9A (0.73) RAB9ASMN1; SMN2NFKB1NFKB2RELA

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 RAB9A 1092/4885SMN1; SMN2 3337/4885NFKB1 4391/4885

“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.