SCHEMBL9907341

SCHEMBL9907341

[C-]#[N+]c1ccccc1-c1ccnc2ccc(C(=O)OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALOX15 P16050 2/20 0.48
TGFBR1 P36897 1/20 0.43
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 4/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
FGFR1 P11362 1/20 0.38
SMN1; SMN2 Q16637 3/20 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
SCHEMBL9907345 0.85 KDM4C (0.41) HTTMAPTPOLBGAAMEN1
SCHEMBL9907404 0.83 ALOX15 (0.52) HTTALOX15TGFBR1MAPTPOLB
SCHEMBL9909202 0.82 HTT (0.51) HTTALOX15TGFBR1MAPTGAA
SCHEMBL9907378 0.81 ALOX15 (0.41) HTTALOX15MAPTGAATP53
SCHEMBL9907325 0.80 ALOX15 (0.55) HTTALOX15TGFBR1MAPTPOLB
SCHEMBL9907398 0.80 ALOX15 (0.46) HTTALOX15TGFBR1ALDH1A1KDM4E
SCHEMBL9907405 0.80 ALOX15 (0.43) HTTALOX15TGFBR1MAPTPOLB
SCHEMBL9907794 0.80 HTR5A (0.45)
SCHEMBL9909186 0.79 ALOX15 (0.48) HTTALOX15TGFBR1MAPTPOLB
SCHEMBL9907339 0.78 ALOX15 (0.49) HTTALOX15TGFBR1MAPTLMNA

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 HTT 970/4885ALOX15 1101/4885TGFBR1 3632/4885

“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.