SCHEMBL9909187

SCHEMBL9909187

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOTUM Q6P988 2/20 0.42
TOP2A P11388 2/20 0.42
TGFBR1 P36897 1/20 0.42
NR2E1 Q9Y466 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
CREBBP Q92793 1/20 0.39
DGAT2 Q96PD7 1/20 0.39

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
SCHEMBL9907389 0.93 SYK (0.43) HTTALOX15GPBAR1LMNAKDM4E
SCHEMBL9909215 0.85 RXRA (0.52) GPBAR1TOP2AKDM4CRXRARXRB
SCHEMBL9907388 0.83 HTT (0.43) HTTALOX15GPBAR1LMNAKDM4E
SCHEMBL9909199 0.83 TLR2 (0.44) HTTALOX15GPBAR1LMNAKDM4E
SCHEMBL9909224 0.82 KIF11 (0.49) HTTALOX15LMNAKDM4EALDH1A1
SCHEMBL9909221 0.82 AAK1 (0.43) HTTALOX15LMNAKDM4EALDH1A1
SCHEMBL29245472 0.81 PIK3CA (0.51) HTTALOX15KDM4ETGFBR1KDM6B
SCHEMBL9907325 0.81 ALOX15 (0.55) HTTALOX15LMNAKDM4EALDH1A1
SCHEMBL9907391 0.80 IP6K1 (0.45) GPBAR1TOP2ANR2E1KDM4CRXRA
SCHEMBL9909279 0.79 HTR5A (0.44)

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 HTT 970/4885ALOX15 1101/4885GPBAR1 164/4885

“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.