SCHEMBL9909215

SCHEMBL9909215

O=C(O)c1ccc2nccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
RXRG P48443 1/20 0.52
IP6K1 Q92551 1/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49
MAPK1 P28482 2/20 0.41
MAP2K4 P45985 2/20 0.41
MAPK6 Q16659 2/20 0.41
MAPKAPK3 Q16644 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
MAP4K4 O95819 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
TOP2A P11388 1/20 0.40
SLC22A12 Q96S37 3/20 0.40
SRD5A2 P31213 2/20 0.40
KMO O15229 1/20 0.40

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
SCHEMBL9907391 0.92 IP6K1 (0.45) RXRARXRBRXRGIP6K1IP6K3
SCHEMBL9909187 0.85 HTT (0.46) RXRARXRBRXRGGPBAR1PTGDR2
SCHEMBL9909279 0.83 HTR5A (0.44) MAPK1
SCHEMBL9907390 0.81 PTGDR2 (0.45) IP6K1IP6K3IP6K2MAPK1MAP2K4
SCHEMBL9909211 0.81 PTGDR2 (0.45) IP6K1IP6K3IP6K2MAPK1MAP2K4
SCHEMBL9907326 0.80 PIK3CA (0.57) IP6K1IP6K3IP6K2MAPK1MAP4K4
SCHEMBL9909223 0.80 KMO (0.52) IP6K1IP6K3IP6K2SLC22A12KMO
SCHEMBL9909220 0.80 KIF11 (0.50) IP6K1IP6K3IP6K2SLC22A12KMO
SCHEMBL9907389 0.79 SYK (0.43) GPBAR1PTGDR2TOP2A
SCHEMBL12875038 0.78 ITGB3 (0.35) RXRARXRBRXRGIP6K1IP6K3

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 3 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-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 RXRA 3848/4885RXRB 3723/4885RXRG 2592/4885

“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.