SCHEMBL15528124

SCHEMBL15528124

O=c1ccc2cccnc2n1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 3/20 0.43
PKM P14618 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ALOX15 P16050 1/20 0.39
BRD4 O60885 1/20 0.39
LTA4H P09960 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP1A2 P05177 3/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CYP2C19 P33261 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL3514631 0.79 ALDH1A1 (0.41) ALDH1A1TSHRPKMOPRM1OPRD1
SCHEMBL15528344 0.79 ALDH1A1 (0.41) ALDH1A1TSHRPKMALOX15MAPK14
SCHEMBL9284377 0.77 ALDH1A1 (0.58) ALDH1A1TSHRPKMOPRM1OPRD1
SCHEMBL3515379 0.76 KDM4E (0.45) ALDH1A1TSHROPRM1OPRD1ALOX15
SCHEMBL3517696 0.75 ALDH1A1 (0.40) ALDH1A1TSHROPRM1OPRD1ALOX15
SCHEMBL3515995 0.74 ALDH1A1 (0.44) ALDH1A1TSHRALOX15KDM4EMEN1
SCHEMBL3515597 0.74 ALDH1A1 (0.42) ALDH1A1TSHREGLN1KDM4EMEN1
SCHEMBL16236741 0.73 CNR1 (0.45) ALDH1A1PKMEGLN1KDM4EMEN1
SCHEMBL4299856 0.72 ALDH1A1 (0.46) ALDH1A1TSHROPRM1OPRD1ALOX15
SCHEMBL3515840 0.72 SMN1; SMN2 (0.40) ALDH1A1TSHROPRM1OPRD1KDM4E

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 4689/4885CYP3A4 2905/4885

“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.