SCHEMBL2397424

SCHEMBL2397424

O=C(O)c1ccc(C(=O)O)c(-c2nc3ccccc3s2)c1-c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
KDM4E B2RXH2 7/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NFKB1 P19838 2/20 0.49

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
SCHEMBL2396387 0.87 MAPT (0.49) NPC1RAB9AKDM4EATMMAPT
Water SCHEMBL11016508 0.84 NPC1 (0.48) NPC1RAB9AKDM4EATMMAPT
SCHEMBL698939 0.82 MAPT (0.64) NPC1RAB9AKDM4EATMMAPT
SCHEMBL27784909 0.81 MAPT (0.63) NPC1RAB9AKDM4EATMMAPT
SCHEMBL9296572 0.80 KDM4E (0.57) NPC1RAB9AKDM4EATMMAPT
SCHEMBL11011712 0.78 KDM4E (0.52) NPC1RAB9AKDM4EATMMAPT
SCHEMBL3374000 0.78 TP53 (0.60) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL28608914 0.78 APP (0.59) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL29540179 0.78 APP (0.59) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL11011756 0.78 MAPT (0.55) NPC1RAB9AKDM4EATMMAPT

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-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 NPC1 4583/4885RAB9A 3169/4885KDM4E 717/4885

“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.