SCHEMBL9907455

SCHEMBL9907455

COC(=O)c1cc(C)c2nccc(-c3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.44
MAPT P10636 2/20 0.43
SLC6A3 Q01959 1/20 0.40
S1PR4 O95977 1/20 0.38
POLB P06746 1/20 0.38
ACLY P53396 1/20 0.38
CRHR1 P34998 2/20 0.38
CNR1 P21554 1/20 0.37
MAP2K4 P45985 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
NPC1 O15118 1/20 0.37
DPP4 P27487 1/20 0.37
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL9907509 0.92 MRGPRX4 (0.40) ALPLMAPTMAP2K4MRGPRX4
SCHEMBL9907493 0.91 CYP46A1 (0.39) ALPLMAPT
SCHEMBL9909259 0.89 CDC7 (0.38) MAPTPOLBNPC1
SCHEMBL9907488 0.89 MAPK14 (0.41) ALPLMAPTMAP2K4MRGPRX4
SCHEMBL9909226 0.89 CCNT1 (0.44) ALPLMRGPRX4
SCHEMBL9907419 0.89 MAPK14 (0.41) MAPTACLYMAP2K4
SCHEMBL9907459 0.87 KDM4C (0.45) ALPLMAPTCRHR1MRGPRX4NPC1
SCHEMBL9907445 0.83 NR1H2 (0.41) MAPTSLC6A3
SCHEMBL9907463 0.82 NR1H2 (0.44) POLBACLY
SCHEMBL9907474 0.82 MAPK14 (0.41) ACLYMAP2K4

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 ALPL 3611/4885MAPT 342/4885SLC6A3 71/4885

“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.