SCHEMBL9909220

SCHEMBL9909220

O=C(O)c1ccc2nccc(-c3ccc(C(F)(F)F)c(F)c3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.50
KMO O15229 2/20 0.41
SLC22A12 Q96S37 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
ADH5 P11766 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
PIK3CA P42336 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
SCHEMBL9909223 0.91 KMO (0.52) KIF11KMOSLC22A12ADH5AAK1
SCHEMBL12874508 0.91 KIF11 (0.60) KIF11SLC22A12CYP11B1CYP11B2AAK1
SCHEMBL9909224 0.86 KIF11 (0.49) KIF11CYP11B1CYP11B2AAK1KCNQ3
SCHEMBL9909300 0.85 HTR5A (0.46) KIF11
SCHEMBL9907412 0.83 KMO (0.50) KMOCAMKK1CAMKK2IP6K1IP6K3
SCHEMBL9907411 0.81 MPL (0.45) KMOSLC22A12CAMKK1CAMKK2IP6K1
SCHEMBL9909215 0.80 RXRA (0.52) KMOSLC22A12IP6K1IP6K3IP6K2
SCHEMBL9909198 0.79 KMO (0.43) KMOSLC22A12IP6K1IP6K3IP6K2
SCHEMBL9909221 0.77 AAK1 (0.43) KMOSLC22A12AAK1KCNQ3KCNQ2
SCHEMBL9909211 0.77 PTGDR2 (0.45) SLC22A12CYP11B1CYP11B2IP6K1IP6K3

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 2 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

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 KIF11 3425/4885KMO 559/4885SLC22A12 1751/4885

“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.