SCHEMBL2994110

SCHEMBL2994110

COC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.48
HSPB1 P04792 2/20 0.47
MEN1 O00255 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.45
MAPT P10636 5/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
PABPC1 P11940 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13209147 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL2854283 0.75 MAPT (0.60) ALDH1A1KMT2AHSPB1MEN1MAPT
SCHEMBL23797941 0.75 MAPT (0.52) ALDH1A1KMT2AHSPB1MEN1CYP2C19
SCHEMBL1589998 0.75 HSPB1 (0.63) ALDH1A1KMT2AHSPB1MEN1CYP2C19
SCHEMBL5373256 0.74 PABPC1 (0.57) ALDH1A1KMT2AHSPB1MEN1MAPT
SCHEMBL27449389 0.72 HSPB1 (0.70) ALDH1A1KMT2AHSPB1MEN1CYP1A2
SCHEMBL25200788 0.71 HSPB1 (0.59) ALDH1A1KMT2AHSPB1MEN1CYP1A2
SCHEMBL4743662 0.71 HSPB1 (0.51) ALDH1A1KMT2AHSPB1MEN1CYP2C19
SCHEMBL3635549 0.71 MAPT (0.61) ALDH1A1KMT2AHSPB1MEN1CYP2C19
SCHEMBL10468493 0.71 HSPB1 (0.73) ALDH1A1KMT2AHSPB1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers REDPOINT BIO CORPORATION (US) 2010-08-05 US claimed
US-7674831-B2 Heterocyclic compounds as sweetener enhancers REDPOINT BIO CORPORATION (US) 2010-03-09 US claimed
EP-2061321-A2 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS Redpoint Bio Corporation (US) 2009-05-27 EP claimed
US-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION 2008-10-09 US claimed
WO-2008024364-A2 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION (US) 2008-02-28 WO claimed
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers REDPOINT BIO CORPORATION (US) 2010-08-05 US disclosed
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers REDPOINT BIO CORPORATION (US) 2010-08-05 US disclosed
US-7674831-B2 Heterocyclic compounds as sweetener enhancers REDPOINT BIO CORPORATION (US) 2010-03-09 US disclosed
US-7674831-B2 Heterocyclic compounds as sweetener enhancers REDPOINT BIO CORPORATION (US) 2010-03-09 US disclosed
EP-2061321-A2 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS Redpoint Bio Corporation (US) 2009-05-27 EP disclosed
US-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION 2008-10-09 US disclosed
US-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION 2008-10-09 US disclosed
WO-2008024364-A2 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION (US) 2008-02-28 WO disclosed
WO-2008024364-A2 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION (US) 2008-02-28 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-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS TAS2R1, TAS1R1, TAS2R40 ALDH1A1 491/4885KMT2A 1631/4885HSPB1 2779/4885
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers TAS2R1, TAS1R1, TAS2R40 ALDH1A1 491/4885KMT2A 1631/4885HSPB1 2779/4885

“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.