SCHEMBL9965417

SCHEMBL9965417

CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
TP53 P04637 2/20 0.56
MAPK8 P45983 1/20 0.54
MAPK10 P53779 1/20 0.54
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC3 O15379 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL4104057 0.87 EPHX2 (0.55) EPHX2TP53NPC1SMN1; SMN2TSHR
SCHEMBL13041440 0.86 EPHX2 (0.54) EPHX2TP53NPC1SMN1; SMN2TSHR
SCHEMBL28669892 0.83 NPC1 (0.63) EPHX2TP53HSD17B10HDAC3HDAC1
SCHEMBL2892697 0.83 KDM4E (0.55) TP53MAPK8MAPK10ALOX15MAPK1
SCHEMBL13735120 0.83 HDAC1 (0.65) TP53MAPK8MAPK10ALOX15MAPK1
SCHEMBL3181308 0.83 PTPN2 (0.62) EPHX2TP53NPC1ACHEBACE1
SCHEMBL9965450 0.81 ALDH1A1 (0.68) TP53MAPK8MAPK10ALOX15MAPK1
SCHEMBL18657574 0.81 TDP1 (0.64) EPHX2HSD17B10TSHRACHEBACE1
SCHEMBL30271400 0.80 NSD2 (0.49) EPHX2SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL642920 0.80 NSD2 (0.49) EPHX2SMN1; SMN2LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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 (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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 EPHX2 781/4885TP53 4466/4885MAPK8 2508/4885

“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.