SCHEMBL10030447

SCHEMBL10030447

[C-]#[N+]c1ccc2ccc(C(=O)O)cc2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2C Q14957 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
IP6K1 Q92551 3/20 0.40
IP6K3 Q96PC2 3/20 0.40
IP6K2 Q9UHH9 3/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40

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
SCHEMBL10030437 0.87 BCL2L1 (0.46) GRIN2DGRIN2AGRIN2CKDM4EHSD17B10
SCHEMBL10030468 0.83 SLC9A1 (0.42)
SCHEMBL10030438 0.82 CSNK2A2 (0.41) GRIN2DGRIN2AGRIN2CNPC1RAB9A
SCHEMBL10030431 0.82 RAB9A (0.41) GRIN2DGRIN2AGRIN2CKDM4ESMN1; SMN2
SCHEMBL10030401 0.82 TTR (0.45) GRIN2DGRIN2AGRIN2CRAB9APLA2G2D
SCHEMBL10030409 0.79 PLA2G2D (0.38) GRIN2DGRIN2AGRIN2CKDM4EALDH1A1
SCHEMBL9448655 0.78 WDR5 (0.56) GRIN2DGRIN2AGRIN2CCASP3SENP8
SCHEMBL10030444 0.77 SLC22A12 (0.38) GRIN2DGRIN2AGRIN2CRAB9APLA2G2D
SCHEMBL10030424 0.77 TTR (0.40) ALDH1A1SMN1; SMN2NPC1RAB9APLA2G2D
SCHEMBL10030436 0.77 TTR (0.40) GRIN2DGRIN2AGRIN2CRAB9APLA2G2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A GRIN2D 65/4885GRIN2A 33/4885GRIN2C 36/4885

“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.