SCHEMBL17323697

SCHEMBL17323697

CC(C)(C)C(=O)Nc1cc(Cl)ncc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CETP P11597 1/20 0.37
NPC1 O15118 2/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL16367862 0.83 CETP (0.41) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL24157078 0.82 ATR (0.42) RAB9ANPC1
SCHEMBL31493121 0.82 ATR (0.42) RAB9ANPC1
SCHEMBL27083575 0.80 RAB9A (0.38) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL16367875 0.79 L3MBTL1 (0.36) KDM4ESMN1; SMN2L3MBTL1RAB9ACETP
SCHEMBL14005069 0.78 RAB9A (0.40) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL15919553 0.78 KDM4E (0.40) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL27846675 0.77 RAB9A (0.39) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL16637667 0.76 RAB9A (0.40) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL9649 0.76 KDM4E (0.38) KDM4EMITFALDH1A1HPGDKLF5

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
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

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 KDM4E 3322/4885MITF 696/4885ALDH1A1 289/4885

“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.