SCHEMBL10168433

SCHEMBL10168433

O=C(NC1CCN(C2CCCCC2)CC1)c1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)cc1)CC3

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
ACHE P22303 1/20 0.51
AKR1B1 P15121 1/20 0.48
APAF1 O14727 1/20 0.47
CNR1 P21554 1/20 0.47
ACKR3 P25106 1/20 0.46
MCHR1 Q99705 2/20 0.46
SLC6A12 P48065 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CCR3 P51677 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 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
SCHEMBL68788 0.92 HDAC1 (0.53) HDAC1HDAC6ACHEAKR1B1CNR1
SCHEMBL10168432 0.92 AKR1B1 (0.56) HDAC1HDAC6ACHEAKR1B1CNR1
SCHEMBL91105 0.92 HDAC1 (0.55) HDAC1HDAC6ACHEAKR1B1CNR1
SCHEMBL13809378 0.88 HDAC1 (0.64) HDAC1HDAC6ACHEAKR1B1MCHR1
SCHEMBL61297 0.87 HDAC1 (0.63) HDAC1HDAC6ACHEAKR1B1APAF1
SCHEMBL70571 0.86 POLB (0.49) HDAC1HDAC6APAF1CNR1ACKR3
SCHEMBL62174 0.86 HDAC1 (0.64) HDAC1HDAC6ACHEAKR1B1APAF1
SCHEMBL61772 0.85 HDAC1 (0.61) HDAC1HDAC6ACHEMCHR1SLC6A12
SCHEMBL61909 0.83 HDAC1 (0.60) HDAC1HDAC6ACHEAKR1B1APAF1
SCHEMBL60695 0.83 HDAC1 (0.58) HDAC1HDAC6ACHEAKR1B1MCHR1

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 5 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
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 (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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC1 753/4885HDAC6 574/4885ACHE 1975/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC1 753/4885HDAC6 574/4885ACHE 1975/4885

“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.