SCHEMBL16631766

SCHEMBL16631766

O=C(O)c1cc2ccc[nH]c-2nc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
ACMSD Q8TDX5 2/20 0.39
DHFR P00374 1/20 0.39
HNF4A P41235 1/20 0.39
MCL1 Q07820 1/20 0.39
DHODH Q02127 6/20 0.38
LMNA P02545 1/20 0.38
PDE10A Q9Y233 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
KEAP1 Q14145 1/20 0.38
PIN1 Q13526 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
SCHEMBL16631775 0.81 KDM4E (0.42) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL1759020 0.79 MCL1 (0.43) NAPRTKDM4EGAAMAPTSMN1; SMN2
SCHEMBL18081960 0.76 RAB9A (0.40) KDM4EGAAMAPTSMN1; SMN2NPC1
SCHEMBL16631769 0.76 DCUN1D1 (0.33) GAAMAPTNPC1ALDH1A1HPGD
SCHEMBL16631462 0.73 SMN1; SMN2 (0.36) KDM4EGAAMAPTSMN1; SMN2NPC1
SCHEMBL14740138 0.68 BRD4 (0.43) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL3536068 0.68 F7 (0.44) NPC1ALDH1A1HPGDRAB9ADHODH
SCHEMBL6436382 0.67 NISCH (0.41) KDM4EGAAMAPTSMN1; SMN2NPC1
SCHEMBL27625145 0.67 KDM4E (0.63) KDM4EALDH1A1
SCHEMBL440492 0.66 NAPRT (1.00) NAPRTKDM4EGAAMAPTSMN1; SMN2

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 NAPRT 212/4885KDM4E 4689/4885GAA 973/4885

“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.