SCHEMBL18835535

SCHEMBL18835535

COC(=O)c1cc(/C=N\O)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 2/20 0.44
PTGS2 P35354 2/20 0.43
KMT2A Q03164 6/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 4/20 0.42
GFER P55789 2/20 0.42
ALOX15 P16050 1/20 0.42
PTGS1 P23219 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.39
MAPK1 P28482 1/20 0.39
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL18835536 1.00 RAB9A (0.44) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL3662033 0.88 RAB9A (0.44) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL3662035 0.88 RAB9A (0.44) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL3595919 0.83 KMT2A (0.55) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL31079415 0.83 KMT2A (0.55) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL25706410 0.83 KMT2A (0.55) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL11341739 0.83 PTGS2 (0.63) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL11341741 0.83 PTGS2 (0.63) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL3595923 0.83 KMT2A (0.55) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL18094307 0.82 ALDH1A1 (0.53) KDM4EALDH1A1PTGS2KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 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-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS CYP4F3, PYM1, PRDX4 RAB9A 394/4885KDM4E 1824/4885NPC1 1754/4885

“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.