SCHEMBL17894512

SCHEMBL17894512

O=Cc1nccn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CCR1 P32246 1/20 0.41
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KCNH2 Q12809 2/20 0.40
P2RX7 Q99572 1/20 0.40
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
ALOX15B O15296 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL14476839 0.96 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17894502 0.83 MAPT (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17544630 0.83 RAB9A (0.48) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL14476551 0.82 KIF11 (0.44) KDM4EALDH1A1SMN1; SMN2CCR1KCNH2
SCHEMBL17894518 0.81 BRD4 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL27463321 0.80 CYP11B1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1240881 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL15806754 0.79 BRD4 (0.36) L3MBTL1LMNA
SCHEMBL14476554 0.78 CYP11B1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL14476612 0.78 BRD4 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1

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
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP claimed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO claimed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB MEN1 3309/4885KMT2A 4411/4885KDM4E 3336/4885

“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.