SCHEMBL9907693

SCHEMBL9907693

O=C(O)c1ccc2ccnc(-c3c(F)cccc3F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.50
TTR P02766 1/20 0.46
HTR5A P47898 6/20 0.45
PLA2G2D Q9UNK4 1/20 0.45
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
RORC P51449 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2C Q14957 1/20 0.38
KDM4C Q9H3R0 3/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
TET3 O43151 1/20 0.38
KDM4A O75164 1/20 0.38
BBOX1 O75936 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5C P41229 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
SCHEMBL9907373 0.91 HTR5A (0.50) PLAUTTRHTR5APLA2G2DCSNK2A2
SCHEMBL9907318 0.89 PLAU (0.50) PLAUHTR5APLA2G2DCSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL9108278 0.88 PLAU (0.49) PLAUHTR5APLA2G2DCSNK2A2CSNK2B
SCHEMBL12875031 0.84 ALOX15 (0.45) HTR5AKDM4CKDM4EKDM6BALDH1A1
SCHEMBL9907374 0.83 PLAU (0.50) PLAUTTRHTR5APLA2G2DGRIN2D
SCHEMBL9907943 0.82 HTR5A (0.69) PLAUHTR5A
SCHEMBL9907335 0.80 PLAU (0.55) PLAUPLA2G2DCSNK2A2CSNK2BGRIN2D
SCHEMBL9907597 0.80 TTR (0.45) TTRHTR5APLA2G2DCSNK2A2CSNK2B
SCHEMBL9907523 0.79 HTR5A (0.69) TTRHTR5ACSNK2A2CSNK2BPTPN1
SCHEMBL16502630 0.78 PLA2G2D (0.46) PLAUTTRPLA2G2DCSNK2A2CSNK2B

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 4 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

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 PLAU 3322/4885TTR 3634/4885HTR5A 1/4885

“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.