SCHEMBL9907328

SCHEMBL9907328

COC(=O)c1ccc2cccc(-c3c(F)cc(F)cc3F)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.39
CYP1A2 P05177 2/20 0.39
RECQL P46063 1/20 0.39
PTGER4 P35408 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 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
SCHEMBL9907330 0.84 KDM4E (0.53) MEN1LMNAKMT2APIM1KDM4E
SCHEMBL29087787 0.81 MAPT (0.48) MAPTGAACYP1A2RECQLPTGER4
SCHEMBL9907986 0.78 HTR5A (0.47) PIM1
SCHEMBL9907327 0.77 PDCD1 (0.45) PTGER4ALDH1A1HPGDHTTKMT2A
SCHEMBL2116282 0.76 PTGER4 (0.50) MAPTGAAPTGER4SMN1; SMN2ALDH1A1
SCHEMBL16502448 0.75 MAPT (0.43) MAPTGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL1722252 0.74 SLC6A2 (0.40) MAPTGAACYP1A2RECQLPTGER4
SCHEMBL2116806 0.74 PTGER4 (0.45) MAPTGAACYP1A2RECQLPTGER4
Trifluoroacetic Acid SCHEMBL30459469 0.74 ADORA2A (0.43) MAPTGAACYP1A2RECQLPTGER4
SCHEMBL4995737 0.73 MAPK1 (0.50) MAPTGAACYP1A2RECQLPTGER4

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 MAPT 342/4885GAA 1699/4885CYP1A2 617/4885

“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.