SCHEMBL4833599

SCHEMBL4833599

COC(=O)c1ccc(OCCCBr)cc1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
NR1H4 Q96RI1 3/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
POLB P06746 3/20 0.47
ELANE P08246 1/20 0.47
PRTN3 P24158 1/20 0.47
PLK1 P53350 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL4825849 0.90 KDM4E (0.51) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL4836085 0.88 NPC1 (0.47) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4833752 0.86 MCHR1 (0.51) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4836158 0.85 RHOC (0.47) KDM4EMAPTALDH1A1HPGDPOLB
SCHEMBL4825858 0.84 KDM4E (0.52) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6108626 0.80 KDM4E (0.68) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4825741 0.78 ABL1 (0.45) KDM4EMAPTHPGDSMN1; SMN2RAB9A
SCHEMBL4800345 0.78 KDM4E (0.59) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4833885 0.77 ALDH1A1 (0.44) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4833876 0.77 ALDH1A1 (0.44) KDM4EMAPTALDH1A1HPGDSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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 (2 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 KDM4E 509/4885MAPT 4769/4885ALDH1A1 269/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 KDM4E 598/4885MAPT 4362/4885ALDH1A1 211/4885

“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.