SCHEMBL9907359

SCHEMBL9907359

COC(=O)c1ccc2nccc(-c3c(Cl)cccc3Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.52
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 3/20 0.49
ALDH1A1 P00352 4/20 0.43
CREBBP Q92793 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9907340 0.92 TGFBR1 (0.50) TGFBR1ALOX15HTTTP53ALDH1A1
SCHEMBL9907381 0.91 HTT (0.49) TGFBR1ALOX15HTTTP53ALDH1A1
SCHEMBL9907339 0.88 ALOX15 (0.49) TGFBR1ALOX15HTTTP53ALDH1A1
SCHEMBL12874617 0.87 SLC2A1 (0.46) TGFBR1HTTTP53ALDH1A1KDM4E
SCHEMBL9907368 0.86 ALOX15 (0.50) TGFBR1ALOX15HTTTP53ALDH1A1
SCHEMBL9907363 0.84 DOT1L (0.44) TGFBR1TP53ALDH1A1TSHRKDM4C
SCHEMBL9907346 0.84 HTT (0.47) TGFBR1ALOX15HTTTP53ALDH1A1
SCHEMBL1299987 0.83 ALOX15 (0.56) ALOX15HTTTP53ALDH1A1CREBBP
SCHEMBL9907347 0.82 TGFBR1 (0.46) TGFBR1ALOX15HTTTP53ALDH1A1
SCHEMBL9907338 0.81 HTT (0.47) TGFBR1ALOX15HTTTP53ALDH1A1

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

“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.