SCHEMBL6797025

SCHEMBL6797025

O=[N+]([O-])c1cccc(-c2ccsc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.53
PGR P06401 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
PKM P14618 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MAPT P10636 2/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2B6 P20813 1/20 0.47
PSMB8 P28062 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
ACHE P22303 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL7816013 0.83 KCNH2 (0.44) TSHRLMNAPGRSMN1; SMN2MGAM
SCHEMBL6738366 0.83 TSHR (0.76) TSHRLMNAPGRSMN1; SMN2MGAM
SCHEMBL11392466 0.81 TSHR (0.73) TSHRLMNAPGRSMN1; SMN2MGAM
Iodide SCHEMBL28598177 0.81 TSHR (0.73) TSHRLMNAPGRSMN1; SMN2MGAM
SCHEMBL28471286 0.81 TSHR (0.73) TSHRLMNAPGRSMN1; SMN2MGAM
SCHEMBL11392461 0.81 TSHR (0.73) TSHRLMNAPGRSMN1; SMN2MGAM
Iodide SCHEMBL30804629 0.81 TSHR (0.73) TSHRLMNAPGRSMN1; SMN2MGAM
SCHEMBL24726553 0.78 APP (0.52) LMNAMGAMGAASIMGAM2
SCHEMBL29526232 0.77 TSHR (0.67) TSHRLMNAPGRSMN1; SMN2MAPT
SCHEMBL2009026 0.77 TSHR (0.67) TSHRLMNAPGRSMN1; SMN2MAPT

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
CN-113264816-B Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof 湖北科技学院 2023-03-24 CN disclosed
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
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 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
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1994029277-A1 AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-12-22 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 TSHR 916/4885LMNA 3681/4885PGR 794/4885

“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.