SCHEMBL62928

SCHEMBL62928

O=C(NC1CCNCC1)c1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
SCN9A Q15858 1/20 0.51
HTR7 P34969 2/20 0.50
HPGD P15428 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
HTT P42858 1/20 0.48
SMYD3 Q9H7B4 2/20 0.48
SMO Q99835 1/20 0.47
MGAM O43451 1/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL22449386 0.86 HDAC8 (0.58) HDAC8ALDH1A1GAAMAPTNFKB1
SCHEMBL3457004 0.86 HDAC8 (0.58) HDAC8ALDH1A1GAAMAPTNFKB1
SCHEMBL6083909 0.83 HDAC8 (0.55) HDAC8ALDH1A1GAAMAPTNFKB1
SCHEMBL21489934 0.83 ALDH1A1 (0.57) HDAC8ALDH1A1GAAMAPTNFKB1
SCHEMBL6083899 0.83 HDAC8 (0.55) HDAC8ALDH1A1GAAMAPTNFKB1
SCHEMBL19701288 0.83 ALDH1A1 (0.57) HDAC8ALDH1A1GAAMAPTNFKB1
SCHEMBL17595041 0.83 HDAC8 (0.55) HDAC8ALDH1A1GAAMAPTNFKB1
SCHEMBL21390326 0.82 SCN9A (0.55) RAB9ASCN9AHTR7SMYD3NPC1
Hydrochloric Acid SCHEMBL21384495 0.81 SCN9A (0.54) RAB9ASCN9AHTR7SMYD3NPC1
SCHEMBL28800749 0.81 RAB9A (0.49) HDAC8ALDH1A1GAAMAPTNFKB1

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 7 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-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-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-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US 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 HDAC8 503/4885ALDH1A1 1444/4885GAA 1176/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC8 503/4885ALDH1A1 1444/4885GAA 1176/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC8 503/4885ALDH1A1 1444/4885GAA 1176/4885

“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.