SCHEMBL15919255

SCHEMBL15919255

COC(=O)c1cc(-c2ccc(-c3ccc(OCCN)cc3)cc2)nc2ccncc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.60
PDE10A Q9Y233 1/20 0.47
DHODH Q02127 2/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPT P10636 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Hydrochloric Acid SCHEMBL17313806 0.99 PLA2G2A (0.59) PLA2G2APDE10ADHODHKDM4EALDH1A1
SCHEMBL15904842 0.95 PLA2G2A (0.62) PLA2G2APDE10ADHODHKDM4EALDH1A1
Hydrochloric Acid SCHEMBL15905288 0.94 PLA2G2A (0.61) PLA2G2APDE10ADHODHKDM4EALDH1A1
SCHEMBL15919397 0.89 ALDH1A1 (0.48) PLA2G2APDE10ADHODHKDM4EALDH1A1
SCHEMBL17323663 0.86 PLA2G2A (0.59) PLA2G2APDE10ADHODHKDM4EALDH1A1
SCHEMBL17327507 0.85 PLA2G2A (0.56) PLA2G2APDE10ADHODHKDM4EALDH1A1
SCHEMBL17323662 0.85 PLA2G2A (0.57) PLA2G2APDE10ADHODHKDM4EALDH1A1
SCHEMBL15919265 0.85 PLA2G2A (0.55) PLA2G2APDE10ADHODHKDM4EALDH1A1
SCHEMBL15904934 0.84 ALDH1A1 (0.48) PLA2G2APDE10ADHODHKDM4EALDH1A1
SCHEMBL15919256 0.83 PLA2G2A (0.53) PLA2G2APDE10AKDM4EALDH1A1SMN1; SMN2

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 PLA2G2A 1990/4885PDE10A 3633/4885DHODH 554/4885

“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.