SCHEMBL6796701

SCHEMBL6796701

CCOC(=O)C1=NOC(CC2CCCCc3noc(=O)n32)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 3/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 3/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
THRB P10828 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL6970445 0.74 ALDH1A1 (0.45) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL6799506 0.72 LMNA (0.32) L3MBTL1POLBTSHRHPGDLMNA
SCHEMBL6972808 0.71 ALDH1A1 (0.42) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL6975966 0.70 ALDH1A1 (0.46) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL892545 0.69 ALDH1A1 (0.54) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL9296882 0.68 ALDH1A1 (0.53) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL14261164 0.68 ALDH1A1 (0.53) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL9548360 0.68 ALDH1A1 (0.53) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL6971402 0.68 ALDH1A1 (0.43) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL6792551 0.67

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-6489323-B1 INHIBITING NO PRODUCTION FROM L-ARGININE, AS SEEN IN DISEASE STATES SUCH AS ARTHRITIS AND SYSTEMIC HYPOTENSION ASSOCIATED WITH SEPTIC AND/OR TOXIC SHOCK G.D. SEARLE & CO. 2002-12-03 US claimed
US-6774126-B2 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-08-10 US disclosed
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-01-29 US disclosed
US-6552052-B2 (2S,3Z)-2-amino-5-(6,7,8,9-tetrahydro-3-oxo-3H,5H -(1,2,4)oxadiazolo(4,3-a)azepin-5-yl)-3-pentenoic acid, for example MONSANTO/G.D. SEARLE 2003-04-22 US disclosed
US-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors HANSEN DONALD W (US) 2001-11-22 US disclosed
EP-1086108-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. Searle & Co. (US) 2001-03-28 EP disclosed
WO-1999064426-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-12-16 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 (2 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-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors NOS1, NOS2, NOS3 ALDH1A1 1337/4885HTT 2642/4885L3MBTL1 4428/4885
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors NOS1, NOS2, NOS3 ALDH1A1 358/4885HTT 4295/4885L3MBTL1 4828/4885

“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.