SCHEMBL9907398

SCHEMBL9907398

[C-]#[N+]c1ccc(-c2ccnc3ccc(C(=O)OC)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
HTT P42858 1/20 0.46
TGFBR1 P36897 2/20 0.42
CREBBP Q92793 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
KDM4E B2RXH2 3/20 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
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DYRK1A Q13627 1/20 0.38
CAMKK2 Q96RR4 2/20 0.38
PIK3CA P42336 1/20 0.38
SGK1 O00141 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CYP3A4 P08684 1/20 0.37
SLC2A1 P11166 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
SCHEMBL9907405 0.85 ALOX15 (0.43) ALOX15HTTTGFBR1CREBBPKDM4E
SCHEMBL9907402 0.85 PIK3CA (0.44) SLC22A12KDM4EKDM6BKDM5CKDM4C
SCHEMBL9907325 0.84 ALOX15 (0.55) ALOX15HTTTGFBR1KDM4EKDM6B
SCHEMBL29245472 0.84 PIK3CA (0.51) ALOX15HTTTGFBR1KDM4EKDM6B
SCHEMBL9909216 0.81 EGLN2 (0.47) ALOX15HTTTGFBR1CREBBPSLC22A12
SCHEMBL9907341 0.80 HTT (0.48) ALOX15HTTTGFBR1CREBBPKDM4E
SCHEMBL9907815 0.79 HTR5A (0.42) SLC22A12PIK3CACHUK
SCHEMBL16549247 0.79 MAPT (0.50) ALOX15HTTCREBBPSLC22A12KDM4E
SCHEMBL9907566 0.78 CSNK2A1 (0.39) ALOX15HTTCREBBPSLC22A12KDM4E
SCHEMBL9907409 0.78 ALOX15 (0.45) ALOX15HTTTGFBR1CREBBPKDM4E

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 970/4885TGFBR1 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.