SCHEMBL6797338

SCHEMBL6797338

Nc1cccc(-c2cccc(/C=C/C(=O)O)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.81
PIM2 Q9P1W9 4/20 0.54
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
TNKS O95271 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
MAOA P21397 2/20 0.50
CYP19A1 P11511 1/20 0.50
MAOB P27338 1/20 0.50
PRMT1 Q99873 1/20 0.50

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
SCHEMBL6797343 1.00 NPSR1 (0.81) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL1000885 0.90 NPSR1 (1.00) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL29777960 0.90 NPSR1 (1.00) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL30791063 0.90 NPSR1 (1.00) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL1003575 0.90 NPSR1 (1.00) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL1000884 0.90 NPSR1 (1.00) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL30584137 0.86 HDAC2 (0.67) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL414598 0.86 HDAC2 (0.67) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL414597 0.86 HDAC2 (0.67) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL7260958 0.84 NPSR1 (0.67) NPSR1PIM2HDAC2HDAC8HDAC3

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 7 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
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 NPSR1 465/4885PIM2 3168/4885HDAC2 64/4885

“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.