SCHEMBL2262827

SCHEMBL2262827

NC(Cn1cc2ccc(C(=O)O)cc2n1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TPH1 P17752 1/20 0.37
CASR P41180 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TYR P14679 1/20 0.36
DOHH Q9BU89 1/20 0.36
HCAR3 P49019 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GRM1 Q13255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2262820 1.00 KMO (0.40) KMONPC1RAB9AMEN1KMT2A
SCHEMBL3471615 0.81 MEN1 (0.44) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL29241303 0.79 KMT2A (0.50) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL503399 0.76 NPC1 (0.41) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL12707029 0.74 THRB (0.41) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL30622509 0.73 KDM5A (0.46) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL6840365 0.72 KDM5A (0.47) NPC1RAB9AHCAR3ALDH1A1
SCHEMBL28274082 0.72 IRAK4 (0.47) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL25402995 0.72 SMN1; SMN2 (0.48) MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL3471092 0.71 THRB (0.61) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 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-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 KMO 4691/4885NPC1 2897/4885RAB9A 2881/4885

“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.