SCHEMBL9907457

SCHEMBL9907457

COC(=O)c1ccc2nccc(-c3c(F)cncc3F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALOX15 P16050 2/20 0.47
TGFBR1 P36897 1/20 0.46
KDM4E B2RXH2 4/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
CREBBP Q92793 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CSNK2A1 P68400 3/20 0.39
DYRK1A Q13627 2/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9107247 0.89 HTT (0.48) HTTALOX15TGFBR1KDM4EKDM6B
SCHEMBL9907346 0.88 HTT (0.47) HTTALOX15TGFBR1KDM4EKDM6B
SCHEMBL9907469 0.88 TGFBR1 (0.48) HTTALOX15TGFBR1KDM4EKDM6B
SCHEMBL9909210 0.87 HTT (0.46) HTTALOX15TGFBR1KDM4EKDM6B
SCHEMBL9907462 0.85 CSNK2A2 (0.43) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907347 0.84 TGFBR1 (0.46) HTTALOX15TGFBR1KDM4EKDM6B
SCHEMBL9907381 0.82 HTT (0.49) HTTALOX15TGFBR1KDM4EKDM6B
SCHEMBL9907340 0.81 TGFBR1 (0.50) HTTALOX15TGFBR1KDM4ECREBBP
SCHEMBL29245472 0.80 PIK3CA (0.51) HTTALOX15TGFBR1KDM4EKDM6B
SCHEMBL9907399 0.80 ALOX15 (0.46) HTTALOX15TGFBR1KDM4EKDM6B

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 1101/4885TGFBR1 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.