SCHEMBL9909198

SCHEMBL9909198

O=C(O)c1ccc2nccc(-c3cccc(C(F)(F)F)c3F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.43
SLC22A12 Q96S37 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
MPL P40238 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
ALKBH2 Q6NS38 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
FTO Q9C0B1 1/20 0.39
AURKA O14965 1/20 0.39
RORC P51449 4/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CYP2C9 P11712 1/20 0.38
PPARG P37231 1/20 0.38
ESR1 P03372 1/20 0.38
TTR P02766 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
SCHEMBL9909206 0.86 HTT (0.48) MPLRORCMRGPRX4ESR1
SCHEMBL9909229 0.85 HTR5A (0.46) CYP2C9
SCHEMBL9907394 0.83 CSNK2A2 (0.43) IP6K1IP6K3IP6K2MRGPRX4
SCHEMBL9907371 0.83 KMO (0.53) KMORORCMRGPRX4CYP2C9TTR
SCHEMBL9909223 0.79 KMO (0.52) KMOSLC22A12IP6K1IP6K3IP6K2
SCHEMBL9909220 0.79 KIF11 (0.50) KMOSLC22A12IP6K1IP6K3IP6K2
SCHEMBL9925388 0.78 CSNK2A2 (0.41) SLC22A12IP6K1IP6K3IP6K2FTO
SCHEMBL9907470 0.78 CSNK2A2 (0.41) KMOSLC22A12IP6K1IP6K3IP6K2
SCHEMBL9907390 0.77 PTGDR2 (0.45) SLC22A12IP6K1IP6K3IP6K2ALKBH2
SCHEMBL14106102 0.77 MPL (0.43) KMOMPLSMN1; SMN2PLA2G2DTTR

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 KMO 559/4885SLC22A12 1751/4885IP6K1 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.