SCHEMBL9907378

SCHEMBL9907378

[C-]#[N+]c1ccccc1-c1nccc2ccc(C(=O)OC)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
IDO1 P14902 3/20 0.38
KDM6B O15054 1/20 0.38

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
SCHEMBL9907384 0.86 PLAU (0.46) HTTHPGDALDH1A1KDM4ENPC1
SCHEMBL9907392 0.86 CSNK2A2 (0.39) ALOX15HTTKDM4EMAPTKDM6B
SCHEMBL16502716 0.81 ALDH1A1 (0.48) ALOX15HTTHPGDL3MBTL1ALDH1A1
SCHEMBL9907341 0.81 HTT (0.48) ALOX15HTTHPGDL3MBTL1ALDH1A1
SCHEMBL9907915 0.80 HTR5A (0.49)
SCHEMBL9909154 0.80 F10 (0.48) ALOX15HTTHPGDL3MBTL1ALDH1A1
SCHEMBL9907334 0.79 CYP19A1 (0.49) ALOX15HTTHPGDALDH1A1KDM4E
SCHEMBL9907429 0.79 ALOX15 (0.37) ALOX15HTTHPGDL3MBTL1ALDH1A1
SCHEMBL9907376 0.78 TP53 (0.44) ALOX15HTTHPGDL3MBTL1ALDH1A1
SCHEMBL10030426 0.76 NPC1 (0.44) HTTL3MBTL1ALDH1A1KDM4ENPC1

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E ALOX15 1101/4885HTT 970/4885HPGD 1267/4885

“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.