SCHEMBL3052893

SCHEMBL3052893

CC(O)=C(C(=O)O)c1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP7 Q93009 3/20 0.44
USP47 Q96K76 2/20 0.44
TSHR P16473 1/20 0.43
FEN1 P39748 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR35 Q9HC97 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
VCAM1 P19320 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2873852 1.00 TDP1 (0.50) TDP1L3MBTL1USP7USP47TSHR
SCHEMBL2873855 1.00 TDP1 (0.50) TDP1L3MBTL1USP7USP47TSHR
SCHEMBL13131631 0.86 MAPT (0.46) TDP1L3MBTL1USP7USP47TSHR
SCHEMBL25170030 0.82 TDP1 (0.53) TDP1L3MBTL1USP7USP47TSHR
SCHEMBL3503761 0.82 TDP1 (0.53) TDP1L3MBTL1USP7USP47TSHR
SCHEMBL2071280 0.80 TDP1 (0.64) TDP1L3MBTL1TSHRFEN1MAPT
SCHEMBL7764416 0.80 TDP1 (0.50) TDP1L3MBTL1USP7USP47TSHR
Hydrochloric Acid SCHEMBL11156407 0.79 TDP1 (0.62) TDP1L3MBTL1TSHRFEN1MAPT
SCHEMBL23302690 0.78 TDP1 (0.47) TDP1L3MBTL1USP7USP47TSHR
SCHEMBL793527 0.77 ALDH1A1 (0.61) TDP1L3MBTL1TSHRMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB TDP1 1632/4885L3MBTL1 1975/4885USP7 3977/4885

“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.