SCHEMBL3596580

SCHEMBL3596580

C/C(=C\C(=O)O)c1cccc(F)c1NC(=O)c1ccc(Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
GPR27 Q9NS67 1/20 0.44
TP53 P04637 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DGAT1 O75907 1/20 0.40
MEN1 O00255 1/20 0.39
SORT1 Q99523 3/20 0.39
DHODH Q02127 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3599830 0.86 HDAC1 (0.46) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3596585 0.79 NPC1 (0.46) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3854495 0.79 LMNA (0.60) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3595117 0.73 RAB9A (0.40) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3596581 0.73 ALDH1A1 (0.44) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL2150013 0.73 ALDH1A1 (0.44) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3849125 0.71 RAB9A (0.56) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL2575677 0.69 CES2 (0.55) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL2575679 0.69 CES2 (0.55) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL18554814 0.69 ALDH1A1 (0.53) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1

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-7709491-B2 Substituted quinazolines as antiviral agents, especially against cytomegaloviruses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-04 US disclosed
US-20060235032-A1 Substituted quinazolines as antiviral agents, especially against cytomegaloviruses AIC246 AG & CO. KG (DE) 2006-10-19 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-20060235032-A1 Substituted quinazolines as antiviral agents, especially against cytomegaloviruses TPMT, EIF2AK2, IRF3 SMN1; SMN2 3744/4885KMT2A 2130/4885NPC1 2269/4885

“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.