SCHEMBL3145873

SCHEMBL3145873

CC(=O)Nc1[c]c(C)c(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ADORA3 P0DMS8 4/20 0.41
ADORA1 P30542 3/20 0.41
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HDAC1 Q13547 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GFER P55789 1/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL5611087 0.74 KEAP1 (0.43) HSP90AA1ALDH1A1KDM4EHPGDMAPT
SCHEMBL10966558 0.73 APOBEC3A (0.50) NAPRTHSD17B10HSP90AA1HSP90AB1ADORA3
SCHEMBL2161029 0.70 HSD17B10 (0.48) NAPRTHSD17B10APOBEC3AAPOBEC3GCYP1A2
SCHEMBL16051259 0.70 HDAC1 (0.49) NAPRTHSD17B10HSP90AA1HSP90AB1ADORA3
SCHEMBL456233 0.70 ESR2 (0.38) HSD17B10ADORA3ADORA1MAPK1ALDH1A1
SCHEMBL4371389 0.69 ESR2 (0.41) HSD17B10MAPK1ALDH1A1HPGDTSHR
SCHEMBL7188387 0.69 MAPT (0.57) NAPRTHSD17B10CYP1A2ALDH1A1KDM4E
SCHEMBL17205965 0.69 DHODH (0.52) HSD17B10ADORA3ADORA1APOBEC3AAPOBEC3G
SCHEMBL99181 0.68 ALDH1A1 (0.59) APOBEC3AAPOBEC3GALDH1A1HDAC1KDM4E
SCHEMBL6662392 0.68 HSD17B10 (0.42) NAPRTHSD17B10HSP90AA1HSP90AB1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815855-B2 N-sulphonylpyrroles and their use as histone deacetylase inhibitors 4SC AG (DE) 2014-08-26 US disclosed
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS MAIER THOMAS 2010-03-25 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 (1 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-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 NAPRT 231/4885HSD17B10 937/4885HSP90AA1 727/4885

“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.