SCHEMBL334256

SCHEMBL334256

O=C(O)c1ccc(N2CCCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TSHR P16473 3/20 0.64
USP2 O75604 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 3/20 0.54
ADRB1 P08588 3/20 0.52
HTR3E A5X5Y0 2/20 0.52
HTR3B O95264 2/20 0.52
HTR3A P46098 2/20 0.52
HTR3D Q70Z44 2/20 0.52
HTR3C Q8WXA8 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 2/20 0.51
ALOX15 P16050 1/20 0.51
STAT1 P42224 1/20 0.51

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
SCHEMBL598515 0.93 ALDH1A1 (0.72) ALDH1A1TSHRUSP2HSD17B10KDM4E
Hydrochloric Acid SCHEMBL4652111 0.91 ALDH1A1 (0.70) ALDH1A1TSHRUSP2HSD17B10KDM4E
SCHEMBL14982060 0.86 ALDH1A1 (0.88) ALDH1A1TSHRUSP2HSD17B10KDM4E
SCHEMBL5234585 0.85 ALDH1A1 (0.58) ALDH1A1TSHRUSP2HSD17B10ADRB1
Hydrochloric Acid SCHEMBL3214277 0.84 CHRNB2 (0.62) ALDH1A1TSHRUSP2HSD17B10KDM4E
SCHEMBL18553775 0.84 LTA4H (0.69) ALDH1A1TSHRUSP2HSD17B10KDM4E
SCHEMBL22442320 0.84 KDM4E (0.67) ALDH1A1TSHRUSP2HSD17B10KDM4E
SCHEMBL419882 0.84 ALDH1A1 (0.69) ALDH1A1TSHRUSP2HSD17B10KDM4E
Phenylpiperazine SCHEMBL3424663 0.83 ALDH1A1 (0.73) ALDH1A1TSHRUSP2HSD17B10KDM4E
SCHEMBL17737084 0.83 ALDH1A1 (0.58) ALDH1A1TSHRUSP2HSD17B10KDM4E

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
WO-2023081452-A1 SMALL-MOLECULE DEGRADERS OF CDK8 AND CDK19 UNIVERSITY OF SOUTH CAROLINA (US) 2023-05-11 WO disclosed
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 US disclosed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 US disclosed
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 US disclosed
US-8097611-B2 Sulfonyl-derivatives as novel or histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-01-17 US disclosed
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase VAN EMELEN KRISTOF 2010-09-23 US disclosed
US-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 US disclosed
US-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 US disclosed
EP-1485365-B1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-05-14 EP disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 US disclosed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 US disclosed
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-26 US disclosed
EP-1485365-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
WO-2003076422-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 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 (6 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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ALDH1A1 1215/4885TSHR 773/4885USP2 1355/4885
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample HDAC1, HDAC11, HDAC4 ALDH1A1 1330/4885TSHR 3074/4885USP2 1933/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ALDH1A1 1215/4885TSHR 773/4885USP2 1355/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 ALDH1A1 1084/4885TSHR 613/4885USP2 1020/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ALDH1A1 1215/4885TSHR 773/4885USP2 1355/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 ALDH1A1 1356/4885TSHR 1984/4885USP2 1394/4885

“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.