SCHEMBL7707955

SCHEMBL7707955

CC(=O)c1sccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.41
USP47 Q96K76 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC10A6 Q3KNW5 1/20 0.41
PRNP P04156 1/20 0.40
PPARG P37231 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL1847303 0.82 ESR2 (0.58) NPC1MAPTRAB9AMEN1HPGD
SCHEMBL25983222 0.82 ESR2 (0.49) NPC1MAPTRAB9AMEN1HPGD
SCHEMBL3070066 0.81 ESR2 (0.45) NPC1MAPTRAB9AMEN1HPGD
SCHEMBL1848834 0.80 ALDH1A1 (0.60) NPC1MAPTRAB9AHPGDKMT2A
SCHEMBL4028591 0.75 MAPT (0.39) NPC1MAPTRAB9AMEN1HPGD
SCHEMBL6623690 0.75 MAPT (0.39) NPC1MAPTRAB9AMEN1HPGD
SCHEMBL4032009 0.73 ESR2 (0.39) NPC1MAPTRAB9AMEN1HPGD
SCHEMBL6612918 0.73 ALDH1A1 (0.39) NPC1MAPTRAB9AMEN1HPGD
SCHEMBL4648233 0.71
SCHEMBL10933026 0.71

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-11718607-B2 Atypical coupling method for the preparation of 1,2-di(thiophen-2-yl)ethene-1,2-diol compounds via a Cu(II) catalyst QATAR UNIVERSITY (QA) 2023-08-08 US disclosed
US-6358750-B1 FOR COMBINATORIAL LIBRARIES; DRUG SCREENING ARQULE, INC. 2002-03-19 US disclosed
EP-1125937-A2 Spiro [Pyrrolidine-2,3'-oxindole] compounds and methods of use ARQULE, INC. (US) 2001-08-22 EP disclosed
EP-1015430-A4 SPIRO PYRROLIDINE-2,3'-OXINDOLE] COMPOUNDS AND METHODS OF USE ARQULE INC (US) 2001-01-17 EP disclosed
US-6114540-A COMBINATORIAL LIBRARIES ARQULE, INC. (US) 2000-09-05 US disclosed
EP-1015430-A1 SPIRO PYRROLIDINE-2,3'-OXINDOLE] COMPOUNDS AND METHODS OF USE ARQULE, INC. (US) 2000-07-05 EP disclosed
WO-1999012904-A1 SPIRO[PYRROLIDINE-2,3'-OXINDOLE] COMPOUNDS AND METHODS OF USE ARQULE, INC. (US) 1999-03-18 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-11718607-B2 Atypical coupling method for the preparation of 1,2-di(thiophen-2-yl)ethene-1,2-diol compounds via a Cu(II) catalyst AP2A2, AP2A1, DNM2 NPC1 2756/4885MAPT 3574/4885RAB9A 2017/4885

“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.