SCHEMBL2996722

SCHEMBL2996722

Cc1ccc(-c2cn3ncsc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.71
MAPT P10636 8/20 0.71
GAA P10253 3/20 0.56
F2RL3 Q96RI0 1/20 0.52
SMN1; SMN2 Q16637 10/20 0.49
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MITF O75030 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
GFER P55789 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 3/20 0.45

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
SCHEMBL5300838 0.83 TP53 (0.62) TP53MAPTGAAF2RL3SMN1; SMN2
SCHEMBL11146043 0.83 TP53 (0.71) TP53MAPTGAAF2RL3SMN1; SMN2
SCHEMBL19475525 0.72 F2RL3 (0.67) TP53MAPTGAAF2RL3SMN1; SMN2
SCHEMBL19510035 0.71 F2RL3 (0.65) TP53MAPTGAAF2RL3SMN1; SMN2
SCHEMBL25270121 0.70 HPGD (0.59) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12692485 0.70 SMN1; SMN2 (0.70) TP53MAPTGAASMN1; SMN2NPC1
SCHEMBL19509939 0.69 F2RL3 (1.00) TP53MAPTF2RL3SMN1; SMN2
Bromide SCHEMBL3869607 0.69 SMN1; SMN2 (0.68) TP53MAPTGAASMN1; SMN2NPC1
SCHEMBL12997562 0.68 SMN1; SMN2 (0.57) TP53MAPTGAAF2RL3SMN1; SMN2
SCHEMBL17750392 0.67 RAB9A (0.60) TP53MAPTGAAF2RL3SMN1; 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 13 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-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
US-7674831-B2 Heterocyclic compounds as sweetener enhancers REDPOINT BIO CORPORATION (US) 2010-03-09 US 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
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 TP53 1811/4885MAPT 4423/4885GAA 935/4885
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers TAS2R1, TAS1R1, TAS2R40 TP53 1811/4885MAPT 4423/4885GAA 935/4885

“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.