SCHEMBL62702

SCHEMBL62702

COC(=O)c1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.69
AKR1B1 P15121 1/20 0.68
HDAC1 Q13547 5/20 0.62
HDAC6 Q9UBN7 5/20 0.62
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTR6 P50406 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL24015621 0.91 ACHE (0.55) ACHEAKR1B1HDAC1HDAC6POLB
SCHEMBL60881 0.90 HDAC1 (0.71) ACHEAKR1B1HDAC1HDAC6POLB
SCHEMBL60976 0.88 AKR1B1 (0.74) ACHEAKR1B1HDAC1HDAC6HTR6
SCHEMBL60787 0.88 HDAC1 (0.62) ACHEAKR1B1HDAC1HDAC6POLB
SCHEMBL11208411 0.82 ACHE (1.00) ACHEAKR1B1HDAC1HDAC6ALOX15
Hydrochloric Acid SCHEMBL7137005 0.81 ACHE (0.98) ACHEAKR1B1HDAC1HDAC6ALOX15
SCHEMBL2187847 0.80 POLB (0.77) POLBKDM4EALDH1A1ALOX15MAPK1
SCHEMBL2593829 0.80 ACHE (1.00) ACHEAKR1B1HDAC1HDAC6HTR6
SCHEMBL61910 0.79 HDAC1 (0.73) ACHEAKR1B1HDAC1HDAC6HTR6
SCHEMBL11183259 0.79 ACHE (0.76) ACHEAKR1B1HTR6MEN1KMT2A

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 19 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
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
EP-2231666-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP 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
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 ACHE 1975/4885AKR1B1 806/4885HDAC1 753/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 ACHE 1975/4885AKR1B1 806/4885HDAC1 753/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 ACHE 1975/4885AKR1B1 806/4885HDAC1 753/4885

“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.