SCHEMBL12415865

SCHEMBL12415865

O=C(Nc1cccc2ccccc12)N1CCOc2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 14/20 0.53
ALDH1A1 P00352 10/20 0.53
HSD17B10 Q99714 6/20 0.53
TSHR P16473 1/20 0.53
RXFP1 Q9HBX9 1/20 0.50
THRB P10828 2/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.44
APOBEC3A P31941 1/20 0.44
HTT P42858 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL12415867 0.85 RXFP1 (0.54) KMT2ARXFP1THRBMAPTPOLB
SCHEMBL12415902 0.84 HCAR2 (0.48) RXFP1THRBMAPTPOLBLMNA
SCHEMBL12415869 0.83 RXFP1 (0.47) KDM4EALDH1A1TSHRRXFP1THRB
SCHEMBL12415805 0.82 MAPT (0.52) KMT2AKDM4EALDH1A1RXFP1THRB
SCHEMBL12415872 0.82 NPSR1 (0.53) KMT2AKDM4EALDH1A1HSD17B10TSHR
SCHEMBL12415887 0.81 RXFP1 (0.56) KMT2AKDM4EALDH1A1HSD17B10RXFP1
SCHEMBL12415880 0.81 MAPT (0.54) KMT2AKDM4ETSHRRXFP1THRB
SCHEMBL12415864 0.78 MAPT (0.53) KDM4EALDH1A1RXFP1MAPTLMNA
SCHEMBL12415862 0.77 LCK (0.53) KMT2AALDH1A1RXFP1THRBMAPT
SCHEMBL12415858 0.77 TRPV1 (0.53) RXFP1THRBMAPTPOLBLMNA

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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 US 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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R3, AKT3, AKT2 KMT2A 2301/4885KDM4E 2303/4885ALDH1A1 4349/4885

“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.