SCHEMBL17273618

SCHEMBL17273618

O=CC(Cl)c1ccc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
S1PR3 Q99500 10/20 0.36
S1PR4 O95977 6/20 0.36
S1PR2 O95136 4/20 0.35
FDPS P14324 1/20 0.34
S1PR1 P21453 4/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
GBA1 P04062 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4436320 0.78 ALDH1A1 (0.38) ALDH1A1KDM4ES1PR3S1PR4S1PR2
SCHEMBL26126120 0.77 CCR1 (0.40) KDM4ES1PR3S1PR4S1PR2S1PR1
SCHEMBL27658270 0.77 ALDH1A1 (0.37) ALDH1A1KDM4ES1PR3S1PR4S1PR2
Bromide SCHEMBL5196642 0.77 ALDH1A1 (0.37) ALDH1A1KDM4ES1PR3S1PR4S1PR2
SCHEMBL31477344 0.77 ALDH1A1 (0.37) ALDH1A1KDM4ES1PR3S1PR4S1PR2
SCHEMBL4538629 0.77 APLNR (0.41) ALDH1A1L3MBTL1
SCHEMBL27961725 0.77 ALDH1A1 (0.34) ALDH1A1KDM4ES1PR3S1PR4S1PR2
SCHEMBL27660669 0.74 KDM4E (0.35) ALDH1A1KDM4ES1PR3S1PR4S1PR2
SCHEMBL17185818 0.74 S1PR3 (0.33) ALDH1A1KDM4ES1PR3S1PR4S1PR2
SCHEMBL13316538 0.73 GBA1 (0.40) ALDH1A1KDM4ES1PR3S1PR4FDPS

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-9416144-B2 Benzoxazine oxazolidinone compound, preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-08-16 US disclosed
US-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-26 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-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF OXA1L, XDH, MYD88 ALDH1A1 818/4885KDM4E 3712/4885S1PR3 4382/4885

“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.