SCHEMBL12413112

SCHEMBL12413112

Cc1ccc(-n2c3c4ccc(Br)cc4sc3c3sc4c5cc6sc7c8ccc(Br)cc8sc7c6cc5sc4c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.31
MIF P14174 1/20 0.31
SMPD1 P17405 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12412886 0.89 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL12413099 0.89 HRH4 (0.34) HRH4RXFP1MIF
SCHEMBL12412829 0.85 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL12413098 0.85 HRH4 (0.33) HRH4
SCHEMBL12413105 0.85 HRH4 (0.31) HRH4
SCHEMBL12412954 0.83 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL12413117 0.83 HRH4 (0.34) HRH4RXFP1MIFSMPD1ALDH1A1
SCHEMBL12503573 0.83 HRH4 (0.31) HRH4
SCHEMBL12413113 0.82
SCHEMBL12503513 0.82 ESR1 (0.34) ALDH1A1SMN1; SMN2

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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SCLY, MSRB3, SOD1 HRH4 357/4885RXFP1 2102/4885MIF 4306/4885

“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.