SCHEMBL5228813

SCHEMBL5228813

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(NC(=O)N4CCOCC4)cc3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.50
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
JAK1 P23458 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPY5R Q15761 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AOC3 Q16853 1/20 0.36

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
SCHEMBL5228132 0.92 TGFBR1 (0.44) TGFBR1KDM4EMAPT
SCHEMBL5198925 0.89 TGFBR1 (0.49) TGFBR1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5197598 0.85 TGFBR1 (0.57) TGFBR1SMN1; SMN2
SCHEMBL5198595 0.84 TGFBR1 (0.48) TGFBR1ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL5197782 0.82 TGFBR1 (0.43) TGFBR1MEN1KMT2A
SCHEMBL5201014 0.82 TGFBR1 (0.46) TGFBR1JAK1CYP2C9CYP2C19
SCHEMBL5199443 0.81 TGFBR1 (0.50) TGFBR1
SCHEMBL5197993 0.80 TGFBR1 (0.77) TGFBR1
SCHEMBL5200669 0.79 TGFBR1 (0.51) TGFBR1KDM4ECYP2C9CYP2C19
SCHEMBL5197802 0.79 TGFBR1 (0.62) TGFBR1CYP2C9CYP2C19

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-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 TGFBR1 40/4885RAB9A 1676/4885NPC1 4055/4885

“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.