SCHEMBL68788

SCHEMBL68788

NC(=O)c1ccc(CN2CCc3[nH]c4ccc(C(=O)NC5CCN(C6CCCCC6)CC5)cc4c3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
AKR1B1 P15121 1/20 0.48
CNR1 P21554 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 2/20 0.42
CNR2 P34972 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL10168433 0.92 HDAC1 (0.61) HDAC1HDAC6AKR1B1CNR1POLB
SCHEMBL10168432 0.92 AKR1B1 (0.56) HDAC1HDAC6AKR1B1CNR1GAA
SCHEMBL61090 0.91 HDAC1 (0.58) HDAC1HDAC6AKR1B1POLBGAA
SCHEMBL91105 0.90 HDAC1 (0.55) HDAC1HDAC6AKR1B1CNR1POLB
SCHEMBL61297 0.87 HDAC1 (0.63) HDAC1HDAC6AKR1B1POLBGAA
SCHEMBL62788 0.86 HDAC1 (0.53) HDAC1HDAC6AKR1B1POLBGAA
SCHEMBL62414 0.85 HDAC1 (0.56) HDAC1HDAC6AKR1B1POLBGAA
SCHEMBL61254 0.85 HDAC1 (0.52) HDAC1HDAC6AKR1B1POLBGAA
SCHEMBL60808 0.85 HDAC1 (0.56) HDAC1HDAC6AKR1B1POLBGAA
SCHEMBL62300 0.84 HDAC1 (0.51) HDAC1HDAC6AKR1B1CNR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 HDAC1 753/4885HDAC6 574/4885AKR1B1 806/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC1 753/4885HDAC6 574/4885AKR1B1 806/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC1 753/4885HDAC6 574/4885AKR1B1 806/4885

“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.