SCHEMBL6405032

SCHEMBL6405032

Cc1cc(C)n(Cc2csc3ccc(Cl)cc23)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
CYP2A6 P11509 3/20 0.51
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.45
KDM1A O60341 1/20 0.44
CA2 P00918 1/20 0.43
ABCB1 P08183 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
CCR2 P41597 1/20 0.40

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
SCHEMBL3176376 0.83 SLC22A12 (0.59) SLC22A12KEAP1NFE2L2
SCHEMBL31462450 0.82 CHRNA7 (0.48) SMN1; SMN2CYP2A6LMNAHPGD
SCHEMBL3178992 0.80 SLC22A12 (0.53) SLC22A12SMN1; SMN2CYP2A6KEAP1NFE2L2
SCHEMBL156931 0.72 CYP2A6 (0.69) SLC22A12SMN1; SMN2CYP2A6KEAP1NFE2L2
SCHEMBL12180747 0.72 POLB (0.70) SMN1; SMN2LMNARAB9AHPGDPOLB
SCHEMBL11977238 0.71 SLC22A12 (1.00) SLC22A12KEAP1NFE2L2
SCHEMBL4418009 0.70 CYP2A6 (0.71) SMN1; SMN2CYP2A6KEAP1NFE2L2CA2
SCHEMBL21938649 0.69 SLC22A12 (0.45) SLC22A12SMN1; SMN2CYP2A6KEAP1NFE2L2
SCHEMBL9883963 0.69 CYP2A6 (0.65) SLC22A12SMN1; SMN2CYP2A6KEAP1NFE2L2
SCHEMBL3082370 0.69 SLC22A12 (0.47) SLC22A12SMN1; SMN2CYP2A6KEAP1NFE2L2

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-20050096372-A1 Small-molecule modulators of hepatocyte growth factor/scatter factor activities PILLARISETTI SIVARAM (US) 2005-05-05 US disclosed
US-6855728-B2 Small-molecule modulators of hepatocyte growth factor / scatter factor activities NORTH SHORE-LONG ISLAND JEWISH HEALTH SYSTEM (US) 2005-02-15 US disclosed
US-6589997-B2 1-Phenylprop-2-en-1-one derivatives as wound healing, anticarcinogenic, antiarthritic, antitumor, antiproliferative, antiinflammatory or antimetastasis agents NORTH SHORE-LONG ISLAND JEWISH HEALTH SYSTEM 2003-07-08 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-20050096372-A1 Small-molecule modulators of hepatocyte growth factor/scatter factor activities HGF, HDGF, MET SLC22A12 2181/4885SMN1; SMN2 3351/4885CYP2A6 2879/4885

“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.