SCHEMBL13342147

SCHEMBL13342147

CC(C)(C)NC(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.67
AKR1C3 P42330 1/20 0.60
NPC1 O15118 4/20 0.58
LMNA P02545 2/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KAT6A Q92794 1/20 0.55
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
RAB9A P51151 3/20 0.53
GCK P35557 1/20 0.52
P2RX3 P56373 1/20 0.52
FABP1 P07148 1/20 0.52
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
PGR P06401 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
SCHEMBL14009963 0.88 HDAC8 (0.52) HDAC8AKR1C3NPC1LMNASMN1; SMN2
SCHEMBL3043303 0.87 HDAC8 (0.61) HDAC8AKR1C3NPC1LMNAPKM
SCHEMBL13702268 0.85 NPSR1 (0.61) HDAC8AKR1C3NPC1LMNAPKM
SCHEMBL8541406 0.84 NPC1 (0.64) NPC1LMNAPKMSMN1; SMN2ALDH1A1
SCHEMBL10197594 0.83 LMNA (0.58) HDAC8NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL7053844 0.82 HDAC8 (0.73) HDAC8AKR1C3NPC1LMNAPKM
SCHEMBL13701690 0.81 SMPD1 (0.71) LMNAALDH1A1
SCHEMBL13701741 0.81 LMNA (0.60) NPC1LMNASMN1; SMN2ALDH1A1KAT6A
SCHEMBL21249304 0.81 LMNA (0.58) HDAC8NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL21616256 0.81 LMNA (0.48) HDAC8NPC1LMNAALDH1A1RAB9A

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-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 Theraprutics, Inc. (US) 2019-03-14 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX HDAC8 1490/4885AKR1C3 490/4885NPC1 1477/4885
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION GCGR, STUB1, GID4 HDAC8 3426/4885AKR1C3 212/4885NPC1 4262/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 HDAC8 3010/4885AKR1C3 790/4885NPC1 2180/4885

“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.