SCHEMBL6804880

SCHEMBL6804880

O=C(Nc1ccc(-c2cc[c]cc2)cc1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.79
DEGS1 O15121 1/20 0.63
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
POLB P06746 2/20 0.61
SIRT1 Q96EB6 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 1/20 0.59
TRPV1 Q8NER1 1/20 0.58
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
STAT3 P40763 1/20 0.57
NR1H4 Q96RI1 1/20 0.56
PTPN2 P17706 1/20 0.56
PRMT1 Q99873 1/20 0.56
FFAR1 O14842 1/20 0.56

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
SCHEMBL10886802 0.89 NPC1 (0.70) PTPN1NPC1RAB9APOLBSIRT1
SCHEMBL445135 0.89 PTPN1 (0.66) PTPN1NPC1RAB9APOLBSIRT1
SCHEMBL18085798 0.89 PTPN1 (1.00) PTPN1DEGS1NPC1RAB9APOLB
SCHEMBL14160276 0.87 PTPN1 (0.96) PTPN1DEGS1NPC1RAB9APOLB
SCHEMBL10136221 0.87 PTPN1 (0.96) PTPN1DEGS1NPC1RAB9APOLB
SCHEMBL483178 0.85 PTPN1 (0.66) PTPN1NPC1RAB9APOLBSIRT1
SCHEMBL28299722 0.84 PTPN1 (0.70) PTPN1DEGS1NPC1RAB9APOLB
SCHEMBL126415 0.83 PTPN1 (0.87) PTPN1NPC1RAB9APOLBSIRT1
SCHEMBL6793722 0.82 SMN1; SMN2 (0.63) PTPN1NPC1RAB9ASIRT1KMT2A
SCHEMBL28051416 0.82 PTPN1 (0.86) PTPN1DEGS1NPC1RAB9APOLB

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 14 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
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
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 PTPN1 1409/4885DEGS1 787/4885NPC1 875/4885

“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.