SCHEMBL9907358

SCHEMBL9907358

COC(=O)c1ccc2nccc(-c3cc(Cl)ccc3Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 1/20 0.45
TGFBR1 P36897 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAP2K4 P45985 1/20 0.41
TP53 P04637 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 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
SCHEMBL9907338 0.90 HTT (0.47) HTTALOX15ALDH1A1TGFBR1KMT2A
SCHEMBL9907369 0.89 HTT (0.46) HTTALOX15ALDH1A1TGFBR1KMT2A
SCHEMBL9907475 0.88 HTT (0.45) HTTALOX15ALDH1A1TGFBR1KMT2A
SCHEMBL9907349 0.86 HTT (0.45) HTTALOX15TGFBR1KMT2AMEN1
SCHEMBL9907381 0.85 HTT (0.49) HTTALOX15ALDH1A1TGFBR1TP53
SCHEMBL9907362 0.85 MAPKAPK2 (0.49) HTTALOX15ALDH1A1TP53CSNK2A2
SCHEMBL9907339 0.82 ALOX15 (0.49) HTTALOX15ALDH1A1TGFBR1KMT2A
SCHEMBL1299987 0.82 ALOX15 (0.56) HTTALOX15ALDH1A1TP53CSNK2A2
SCHEMBL9907359 0.81 TGFBR1 (0.52) HTTALOX15ALDH1A1TGFBR1TP53
SCHEMBL9907350 0.81 HTT (0.45) HTTALOX15ALDH1A1TGFBR1KMT2A

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 5 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
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
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 HTT 970/4885ALOX15 1101/4885ALDH1A1 1799/4885

“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.