SCHEMBL17829892

SCHEMBL17829892

Cc1cccc2c(NCCCN3CCOCC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 4/20 0.51
ALOX15 P16050 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
ACP1 P24666 1/20 0.47
USP2 O75604 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
HSD17B10 Q99714 3/20 0.45

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
SCHEMBL17829581 0.92 MAPT (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL17829583 0.92 ACP1 (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL17829912 0.90 MAPT (0.42) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL17831901 0.88 ALDH1A1 (0.54) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL17829946 0.83 SYK (0.47) KDM4EALDH1A1GAA
SCHEMBL17833279 0.83 CTNNB1 (0.37) KDM4EALDH1A1KMT2AACP1GAA
SCHEMBL17829899 0.83 SYK (0.36) KDM4EALDH1A1KMT2APOLBACP1
SCHEMBL17829836 0.82 RAD52 (0.48) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL17829902 0.81 RAD52 (0.45) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL17829586 0.80 POLB (0.48) KDM4EALDH1A1MEN1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 MAPT 4581/4885KDM4E 4525/4885ALDH1A1 4840/4885

“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.