SCHEMBL15528344

SCHEMBL15528344

O=c1ccc2cc(Br)cnc2n1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
CYP1A2 P05177 2/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ENPP3 O14638 2/20 0.37
ENPP1 P22413 1/20 0.37
PKM P14618 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HBB P68871 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GCK P35557 2/20 0.35
MAOB P27338 1/20 0.35
CDK4 P11802 1/20 0.34

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
SCHEMBL15528124 0.79 ALDH1A1 (0.44) ALDH1A1TSHRCYP1A2CLK4PKM
SCHEMBL28563529 0.72 PDGFRB (0.40) ALDH1A1TSHRHDAC8CLK4MKNK2
SCHEMBL13435221 0.72 ALDH1A1 (0.39) ALDH1A1TSHRHDAC8CYP1A2MAPK14
SCHEMBL3517053 0.71 MAPK8 (0.39) ALDH1A1TSHRCYP1A2MKNK1MKNK2
SCHEMBL9284377 0.70 ALDH1A1 (0.58) ALDH1A1TSHRCYP1A2PKMMAPK14
SCHEMBL16236218 0.69 CNR2 (0.42) ALDH1A1PKM
SCHEMBL18989228 0.68 CDK4 (0.50) CDK4CCND1CCND2CCND3
SCHEMBL15712213 0.67 FGFR1 (0.50) HDAC8CLK4ENPP3ENPP1MKNK1
SCHEMBL5370422 0.67 GLO1 (0.42) HDAC8ENPP3ENPP1GCKMAOB
SCHEMBL20564410 0.66 HDAC3 (0.41) ALDH1A1TSHRCYP1A2KDM4ECYP2D6

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-20150094327-A1 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2015-04-02 US disclosed
WO-2013165898-A2 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-11-07 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-20150094327-A1 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES FEN1, RCE1, APEX1 ALDH1A1 4188/4885TSHR 4689/4885HDAC8 3283/4885

“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.