SCHEMBL3933276

SCHEMBL3933276

CC(C)(C)OC(=O)NC(O)CCCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDR P35968 4/20 0.41
TRPV1 Q8NER1 1/20 0.35
DHODH Q02127 1/20 0.34
CXCR2 P25025 1/20 0.34
FLT1 P17948 2/20 0.34
ABL1 P00519 2/20 0.34
LCLAT1 Q6UWP7 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
HDAC8 Q9BY41 4/20 0.33
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33

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
SCHEMBL3933273 0.89 MAPT (0.43) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1940441 0.88 MAPT (0.46) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1941837 0.87 MAPT (0.51) MAPTCRHBPKMT2ACRHR2KDR
Hydrochloric Acid SCHEMBL1941342 0.87 MAPT (0.45) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL3933270 0.85 MAPT (0.43) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1940909 0.84 MAPT (0.51) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL1073668 0.82 KDR (0.51) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL29460352 0.82 KDR (0.51) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL29460351 0.82 KDR (0.51) MAPTCRHBPKMT2ACRHR2KDR
SCHEMBL3923961 0.81 KDR (0.51) MAPTCRHBPKMT2ACRHR2KDR

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-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 MAPT 4537/4885CRHBP 2593/4885KMT2A 2966/4885

“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.