SCHEMBL3161997

SCHEMBL3161997

[CH2]COc1cccc(Br)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.36
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GRM4 Q14833 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL1145394 0.82 HTR7 (0.52) HTR7LMNASMN1; SMN2RAB9ANPC1
SCHEMBL11409412 0.82 LMNA (0.49) HTR7LMNASMN1; SMN2RAB9ANPC1
SCHEMBL245322 0.80 TDP1 (0.34) SMN1; SMN2HPGD
SCHEMBL6047049 0.78 HPGD (0.50) HTR7LMNASMN1; SMN2KDM4EMAPT
SCHEMBL11699516 0.78 LIG1 (0.46) LMNAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL5831776 0.75 ALDH1A1 (0.42) HTR7LMNASMN1; SMN2RAB9ANPC1
SCHEMBL9082172 0.75 PTPN1 (0.39) HTR7LMNASMN1; SMN2RAB9ANPC1
SCHEMBL15795202 0.75 KMT2A (0.40) LMNASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1225103 0.75 IDO1 (0.32) HTR7LMNASMN1; SMN2RAB9ANPC1
SCHEMBL1417897 0.74 TDP1 (0.40) HTR7LMNASMN1; SMN2RAB9ANPC1

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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 HTR7 375/4885LMNA 4687/4885SMN1; SMN2 3564/4885

“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.