SCHEMBL9907361

SCHEMBL9907361

Cc1cnc2ccc(C(=O)O)cc2c1-c1c(F)cc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.49
TDP1 Q9NUW8 2/20 0.40
IP6K1 Q92551 2/20 0.38
IP6K3 Q96PC2 2/20 0.38
IP6K2 Q9UHH9 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ESR2 Q92731 1/20 0.37
CREBBP Q92793 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
TP53 P04637 1/20 0.36
LDHA P00338 1/20 0.36

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
SCHEMBL9907385 0.92 HTR5A (0.45) HTR5APOLB
SCHEMBL9907401 0.90 HTR5A (0.46) HTR5ATDP1IP6K1IP6K3IP6K2
SCHEMBL9907400 0.86 HTR5A (0.54) HTR5A
SCHEMBL9907357 0.86 MAPT (0.46) HTR5AMEN1POLBKMT2ACREBBP
SCHEMBL9907450 0.84 NR4A2 (0.46) TDP1IP6K1IP6K3IP6K2RAB9A
SCHEMBL9907799 0.83 HTR5A (0.69) HTR5A
SCHEMBL9907451 0.82 HTR5A (0.49) HTR5ALMNA
SCHEMBL9907608 0.80 HTR5A (0.72) HTR5ATDP1IP6K1IP6K3IP6K2
SCHEMBL9907360 0.80 ALDH1A1 (0.50) TDP1IP6K1IP6K3IP6K2RAB9A
SCHEMBL9907448 0.79 HTR5A (0.47) HTR5ALMNA

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
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 HTR5A 1/4885TDP1 964/4885IP6K1 4169/4885

“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.