SCHEMBL15919457

SCHEMBL15919457

CC(C)(C)OC(=O)NNC(=O)c1cc(-c2ccc(-c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)nc2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
XBP1 P17861 1/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ACACB O00763 4/20 0.42
ACACA Q13085 3/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
GPR55 Q9Y2T6 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL15919659 0.87 KDM4E (0.44) ALDH1A1XBP1LMNAMEN1KMT2A
SCHEMBL15919356 0.86 ALDH1A1 (0.49) ALDH1A1XBP1LMNAMEN1KMT2A
SCHEMBL15919738 0.85 ALDH1A1 (0.51) ALDH1A1XBP1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL15905255 0.85 ALDH1A1 (0.51) ALDH1A1XBP1LMNAMEN1KMT2A
SCHEMBL15919450 0.83 L3MBTL1 (0.48) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL15919445 0.80 MAPT (0.48) ALDH1A1LMNAMEN1KMT2ARXFP1
SCHEMBL15905078 0.79 MEN1 (0.51) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL15919431 0.79 ACACB (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL15919508 0.78 ACACB (0.48) ALDH1A1MEN1KMT2AKDM4EACACB
SCHEMBL15919262 0.78 ACACB (0.46) MEN1KMT2AKDM4EACACBACACA

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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885XBP1 1487/4885LMNA 4266/4885

“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.