SCHEMBL13610555

SCHEMBL13610555

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
POLB P06746 2/20 0.59
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.55
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
CTSD P07339 1/20 0.47
CDC25B P30305 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 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
SCHEMBL10733812 0.88 TDP1 (0.59) TSHRPOLBTDP1L3MBTL1KDM4E
SCHEMBL13610552 0.88 TDP1 (0.59) TSHRPOLBTDP1L3MBTL1KDM4E
Ammonia Solution, Strong SCHEMBL5572312 0.85 TDP1 (0.64) TSHRPOLBTDP1L3MBTL1KDM4E
Ammonia Solution, Strong SCHEMBL5572316 0.85 TDP1 (0.64) TSHRPOLBTDP1L3MBTL1KDM4E
SCHEMBL5906135 0.84 POLB (0.55) TSHRPOLBTDP1L3MBTL1KDM4E
SCHEMBL29351965 0.83 TDP1 (0.66) TSHRPOLBTDP1L3MBTL1KDM4E
SCHEMBL304456 0.83 TDP1 (0.66) TSHRPOLBTDP1L3MBTL1KDM4E
SCHEMBL15869336 0.83 TDP1 (0.66) TSHRPOLBTDP1L3MBTL1KDM4E
SCHEMBL15507331 0.82 TSHR (0.65) TSHRPOLBTDP1L3MBTL1KDM4E
SCHEMBL11278116 0.82 TSHR (0.64) TSHRPOLBTDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080671-B2 Production of low color polyetherimides SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-12-20 US disclosed
US-8080671-B2 Production of low color polyetherimides SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-12-20 US disclosed
US-20090292128-A1 PRODUCTION OF LOW COLOR POLYETHERIMIDES SABIC INNOVATIVE PLASTICS IP B.V. (US) 2009-11-26 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-20090292128-A1 PRODUCTION OF LOW COLOR POLYETHERIMIDES CA4, CA2, CA7 TSHR 4708/4885POLB 3270/4885TDP1 3166/4885

“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.