SCHEMBL62417

SCHEMBL62417

O=C(O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.60
MAPT P10636 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
BAZ2B Q9UIF8 2/20 0.54
APAF1 O14727 1/20 0.53
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
ACHE P22303 1/20 0.47
CFTR P13569 1/20 0.44

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
SCHEMBL62284 0.87 MEN1 (0.56) POLBMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL62805 0.84 POLB (0.51) POLBMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL5043625 0.83 POLB (0.50) POLBMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL61259 0.82 POLB (0.58) POLBMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL61910 0.81 HDAC1 (0.73) APAF1HDAC1HDAC6ACHE
SCHEMBL4132669 0.81 BAZ2B (0.55) POLBMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL3724639 0.81 L3MBTL1 (0.61) POLBMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL16927810 0.80 HDAC1 (0.57) POLBMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL70571 0.80 POLB (0.49) POLBMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL61384 0.79 POLB (0.53) POLBMAPTL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231666-B1 Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
WO-2009076631-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-06-18 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 (3 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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 POLB 2805/4885MAPT 2174/4885L3MBTL1 3779/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 POLB 2805/4885MAPT 2174/4885L3MBTL1 3779/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 POLB 2805/4885MAPT 2174/4885L3MBTL1 3779/4885

“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.