SCHEMBL6746669

SCHEMBL6746669

Cc1cccc(Oc2ccccc2)c1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
RIPK1 Q13546 1/20 0.43
GAA P10253 3/20 0.41
HRH1 P35367 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 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
SCHEMBL695730 0.79 CA1 (0.42) ALDH1A1MAPK1L3MBTL1TSHRLMNA
SCHEMBL1191734 0.78 DPP4 (0.69) DPP4SLC6A4SLC6A2RIPK1GAA
SCHEMBL232763 0.78 SMN1; SMN2 (0.56) SLC6A4SLC6A2RIPK1GAAHRH1
SCHEMBL6746682 0.77 DPP4 (0.42) DPP4SLC6A4SLC6A2RIPK1GAA
SCHEMBL11313513 0.77 LTA4H (0.42) DPP4SLC6A4SLC6A2RIPK1GAA
SCHEMBL6746713 0.76 SLC6A4 (0.50) DPP4SLC6A4SLC6A2RIPK1HRH1
SCHEMBL30358266 0.76 DHFR (0.54) DPP4SLC6A4SLC6A2RIPK1GAA
SCHEMBL2339526 0.76 DHFR (0.54) DPP4SLC6A4SLC6A2RIPK1GAA
Ammonia Solution, Strong SCHEMBL6579940 0.76 SMN1; SMN2 (0.54) SLC6A4SLC6A2RIPK1GAAHRH1
Hydrochloric Acid SCHEMBL28554702 0.76 SMN1; SMN2 (0.54) SLC6A4SLC6A2RIPK1GAAHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087583-A1 Amino-thio-acrylonitriles as MEK inhibitors HOBBS FRANK WORDEN (US) 2004-05-06 US disclosed
US-6703420-B1 MITOGEN ACTIVATED PROTEIN KINASE (MAPK) INHIBITORS; ANTIINFLAMMATORY, ANTICARCINOGENIC, OR ANTIPROLIFERATIVE AGENTS; RADIOSENSITIZERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-09 US disclosed
EP-1163215-A1 AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-12-19 EP disclosed
WO-2000056706-A1 AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-09-28 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-20040087583-A1 Amino-thio-acrylonitriles as MEK inhibitors MAPK1, MAP3K1, CDKN1A DPP4 4302/4885SLC6A4 4629/4885SLC6A2 4738/4885

“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.