SCHEMBL9907338

SCHEMBL9907338

COC(=O)c1ccc2nccc(-c3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
ALPL P05186 1/20 0.45
MAPT P10636 3/20 0.42
TGFBR1 P36897 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ACLY P53396 1/20 0.42
POLB P06746 2/20 0.41
MAP2K4 P45985 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRNP P04156 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 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
SCHEMBL9907358 0.90 HTT (0.47) HTTALOX15MAPTTGFBR1ALDH1A1
SCHEMBL9907350 0.88 HTT (0.45) HTTALOX15MAPTTGFBR1ALDH1A1
SCHEMBL9907349 0.88 HTT (0.45) HTTALOX15MAPTTGFBR1POLB
SCHEMBL9907381 0.88 HTT (0.49) HTTALOX15MAPTTGFBR1ALDH1A1
SCHEMBL9907369 0.87 HTT (0.46) HTTALOX15MAPTTGFBR1ALDH1A1
SCHEMBL9907342 0.85 SRD5A2 (0.49) ALPLMAPTCSNK2A2CSNK2BNPC1
SCHEMBL9907339 0.82 ALOX15 (0.49) HTTALOX15MAPTTGFBR1ALDH1A1
SCHEMBL1299987 0.82 ALOX15 (0.56) HTTALOX15ALDH1A1ACLYCSNK2A2
SCHEMBL9907359 0.81 TGFBR1 (0.52) HTTALOX15MAPTTGFBR1ALDH1A1
SCHEMBL9907455 0.81 ALPL (0.44) ALPLMAPTSLC6A3ACLYPOLB

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 6 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-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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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 1101/4885ALPL 3611/4885

“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.