SCHEMBL3595117

SCHEMBL3595117

C/C(=C\C(=O)O)c1cc(C)cc(F)c1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
MAPT P10636 4/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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 0.84 HDAC1 (0.46) RAB9AMEN1KMT2ATP53NPC1
SCHEMBL3595124 0.79 RAB9A (0.40) RAB9AMEN1KMT2APOLBTP53
SCHEMBL3596580 0.73 SMN1; SMN2 (0.49) RAB9AMEN1KMT2ATP53NPC1
SCHEMBL3595123 0.72 ALDH1A1 (0.40) RAB9AMEN1KMT2ATP53CCNA2
SCHEMBL2149214 0.72 ALDH1A1 (0.40) RAB9AMEN1KMT2ATP53CCNA2
SCHEMBL421089 0.72 PKM (0.59) RAB9AMEN1KMT2APOLBTP53
SCHEMBL2195137 0.69 NR4A1 (0.59) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL508521 0.69 NR4A1 (0.59) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2195140 0.69 NR4A1 (0.59) RAB9AMEN1KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL6783347 0.68 NR4A1 (0.58) RAB9AMEN1KMT2ANPC1ALDH1A1

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 RAB9A 1634/4885MEN1 1290/4885KMT2A 2130/4885

“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.