SCHEMBL9907439

SCHEMBL9907439

O=C(O)c1cc(C(F)(F)F)c2nccc(O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
P2RY14 Q15391 1/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4A O75164 3/20 0.38
EGLN1 Q9GZT9 3/20 0.38
HIF1AN Q9NWT6 2/20 0.38
RAB9A P51151 1/20 0.38
FTO Q9C0B1 3/20 0.38
ALKBH2 Q6NS38 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
P4HB P07237 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ASPH Q12797 2/20 0.37
KDM6B O15054 2/20 0.37
TET3 O43151 2/20 0.37
KDM5C P41229 2/20 0.37
KDM4D Q6B0I6 2/20 0.37
TET2 Q6N021 2/20 0.37
ALKBH5 Q6P6C2 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
SCHEMBL9907446 0.83 NOTUM (0.45) KDM4EL3MBTL1FTOP4HBKDM6B
SCHEMBL9907435 0.80 KDM4E (0.41) KDM4EL3MBTL1KDM4AEGLN1HIF1AN
SCHEMBL9907461 0.78 PTGDR2 (0.43) KDM4ANR1H4KDM4CKDM5AKDM5B
SCHEMBL25210212 0.77 MEN1 (0.36) SLC6A2KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL9104437 0.77 KDM4E (0.41) SLC6A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL9907414 0.77 TTR (0.47) SLC6A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL21818954 0.75 TRPM5 (0.45) L3MBTL1ALDH1A1KMO
SCHEMBL7721527 0.73 RXRA (0.41) SLC6A2P2RY14KDM4EP4HBASPH
Hydrochloric Acid SCHEMBL7981979 0.71 RXRA (0.40) SLC6A2P2RY14KDM4EP4HBASPH
SCHEMBL1091417 0.71 NCF1 (0.51) SLC6A2KDM4EL3MBTL1KDM4AEGLN1

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 SLC6A2 56/4885P2RY14 1743/4885KDM4E 1474/4885

“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.