SCHEMBL6696898

SCHEMBL6696898

O=C(OCCc1ccccc1C=C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
S1PR4 O95977 1/20 0.44
ITGA4 P13612 1/20 0.44
HPGD P15428 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
GAA P10253 1/20 0.43
FBP1 P09467 4/20 0.43
SYK P43405 1/20 0.43
VCP P55072 1/20 0.43

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
SCHEMBL6696894 1.00 TDP1 (0.45) TDP1ALDH1A1MAPTLMNANPC1
SCHEMBL6696866 0.79 TDP1 (0.54) TDP1ALDH1A1LMNANPC1RAB9A
SCHEMBL27981237 0.78 TDP1 (0.53) TDP1ALDH1A1LMNANPC1RAB9A
SCHEMBL13915431 0.73 RXRA (0.50) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL4621752 0.73 RXRA (0.50) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL28409564 0.73 RXRA (0.50) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL28409911 0.73 RXRA (0.50) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL137486 0.72 TDP1 (0.83) TDP1ALDH1A1LMNANPC1RAB9A
SCHEMBL30396116 0.71 TDP1 (0.59) TDP1ALDH1A1LMNANPC1RAB9A
SCHEMBL29279716 0.71 TYR (0.74) TDP1ALDH1A1LMNANPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 US disclosed
EP-0526529-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLONE DERIVATIVES SMITH KLINE FRENCH LAB (GB) 1996-10-16 EP disclosed
US-5336781-A Process SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1994-08-09 US disclosed
EP-0526529-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLONE DERIVATIVES. SMITH KLINE FRENCH LAB (GB) 1993-02-10 EP disclosed
WO-1991016306-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLONE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-10-31 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-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 TDP1 1912/4885ALDH1A1 3282/4885MAPT 1549/4885

“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.