SCHEMBL17894535

SCHEMBL17894535

O=Cc1cccn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 1/20 0.42
CHRM5 P08912 3/20 0.41
HTR6 P50406 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
P2RX7 Q99572 1/20 0.39
CHRM3 P20309 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL18002126 0.88 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTATM
SCHEMBL17894524 0.85 MAPT (0.56) ALDH1A1KDM4ESMN1; SMN2MAPTATM
SCHEMBL28471906 0.84 HDAC3 (0.50) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28469757 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTCA12CA1
SCHEMBL1244152 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTATM
SCHEMBL18002488 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTP2RX7
SCHEMBL28469213 0.80 EPHX2 (0.48) ALDH1A1MAPTCHRM5
SCHEMBL25753482 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2ATMHTT
SCHEMBL18002201 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTATM
SCHEMBL31622840 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPT

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 ALDH1A1 1734/4885KDM4E 3336/4885SMN1; SMN2 4095/4885

“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.