SCHEMBL9909210

SCHEMBL9909210

COC(=O)c1ccc2nccc(-c3c(F)cc(OC)cc3F)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
TGFBR1 P36897 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
DDR2 Q16832 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 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
SCHEMBL9107247 0.90 HTT (0.48) HTTALOX15TGFBR1KDM4ELMNA
SCHEMBL9909165 0.89 LMNA (0.49) HTTTGFBR1KDM4EMAPK1NPSR1
SCHEMBL9907469 0.89 TGFBR1 (0.48) HTTALOX15TGFBR1KDM4ENPSR1
SCHEMBL9907346 0.89 HTT (0.47) HTTALOX15TGFBR1KDM4ELMNA
SCHEMBL9907457 0.87 HTT (0.47) HTTALOX15TGFBR1KDM4ENPSR1
SCHEMBL9909225 0.83 HTR5A (0.57) KDM4EMAPK1NPSR1
SCHEMBL9907347 0.83 TGFBR1 (0.46) HTTALOX15TGFBR1KDM4ELMNA
SCHEMBL9909254 0.81 GRM2 (0.37) KDM4ELMNACA1CA2MAPT
SCHEMBL9907340 0.81 TGFBR1 (0.50) HTTALOX15TGFBR1KDM4ENPSR1
SCHEMBL12874649 0.79 HTR5A (0.46) TGFBR1KDM4EMAPK1NPSR1LMNA

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 1101/4885TGFBR1 3632/4885

“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.