SCHEMBL9907389

SCHEMBL9907389

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.43
HTT P42858 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TGFBR1 P36897 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
TOP2A P11388 2/20 0.39
NR2E1 Q9Y466 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
NOTUM Q6P988 2/20 0.39
GAA P10253 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CREBBP Q92793 1/20 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
SCHEMBL9909187 0.93 HTT (0.46) HTTGPBAR1ALOX15LMNAALDH1A1
SCHEMBL9907391 0.88 IP6K1 (0.45) SYKGPBAR1PTGDR2TOP2ANR2E1
SCHEMBL9907808 0.82 HTR5A (0.45) PTGDR2
SCHEMBL9909199 0.79 TLR2 (0.44) HTTGPBAR1ALOX15LMNAALDH1A1
SCHEMBL9907388 0.79 HTT (0.43) HTTGPBAR1ALOX15LMNAALDH1A1
SCHEMBL9909215 0.79 RXRA (0.52) GPBAR1PTGDR2TOP2A
SCHEMBL9907469 0.78 TGFBR1 (0.48) HTTALOX15LMNAALDH1A1KDM4E
SCHEMBL9909224 0.78 KIF11 (0.49) HTTALOX15LMNAALDH1A1KDM4E
SCHEMBL9909221 0.78 AAK1 (0.43) HTTALOX15LMNAALDH1A1KDM4E
SCHEMBL29245472 0.78 PIK3CA (0.51) HTTALOX15KDM4ETGFBR1DYRK1A

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 SYK 1076/4885HTT 970/4885GPBAR1 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.