SCHEMBL9909203

SCHEMBL9909203

N#Cc1ccccc1-c1ccnc2ccc(C(=O)O)cc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CLK4 Q9HAZ1 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4C Q9H3R0 2/20 0.41
AURKA O14965 1/20 0.41
F10 P00742 1/20 0.41
SLC22A12 Q96S37 2/20 0.40
SYK P43405 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
TGFBR1 P36897 1/20 0.39

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
SCHEMBL9909186 0.85 ALOX15 (0.48) ALDH1A1HSD17B10CYP1A2CYP3A4CLK4
SCHEMBL9909296 0.83 HTR5A (0.45) F10
SCHEMBL18109862 0.82 ALDH1A1 (0.42) ALDH1A1KDM4CSLC22A12MAPK1HPGD
SCHEMBL9907406 0.80 KDM4C (0.52) ALDH1A1HSD17B10KDM4CMAPK1TP53
SCHEMBL9907326 0.79 PIK3CA (0.57) ALDH1A1HSD17B10KDM4CMAPK1HPGD
SCHEMBL16502465 0.79 SLC22A12 (0.46) CYP1A2CYP2C19SLC22A12
SCHEMBL9909158 0.79 KMT2A (0.46) KDM4CAURKAF10SLC22A12SYK
SCHEMBL9909160 0.78 SLC22A12 (0.58) KDM4CSLC22A12
SCHEMBL14114868 0.77 TTR (0.51) ALDH1A1HPGD
SCHEMBL29077121 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2CYP3A4CLK4

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 4 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E ALDH1A1 1799/4885HSD17B10 1873/4885CYP1A2 617/4885

“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.