SCHEMBL3006822

SCHEMBL3006822

N=c1sccn1CC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ MGAM O43451 1/20 0.51
▸ AMY1A P0DUB6 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ SI P14410 1/20 0.51
▸ MGAM2 Q2M2H8 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CES2 O00748 1/20 0.48

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
SCHEMBL7502549 0.77 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL14013432 0.72 SMN1; SMN2 (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL1986403 0.72 CES2 (0.70) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL13779317 0.71 RAB9A (0.65) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL312393 0.71 CES2 (0.68) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL30512072 0.71 CES2 (0.68) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL7115992 0.70 CYP19A1 (0.72) ALDH1A1MGAMAMY1AGAASI
Bromide SCHEMBL22749625 0.70 CYP1A1 (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
Bromide SCHEMBL3899672 0.70 NPC1 (0.75) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL73675 0.70 CES2 (0.66) KMT2AMEN1ALDH1A1GAASMN1; SMN2

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 11 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
US-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION 2008-10-09 — — US 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

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 KMT2A 1631/4885MEN1 903/4885NPC1 3113/4885
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers TAS2R1, TAS1R1, TAS2R40 KMT2A 1631/4885MEN1 903/4885NPC1 3113/4885

“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.

Send feedback