SCHEMBL22433752

SCHEMBL22433752

C1=CC(c2cccc3c2C(Nc2ccccc2)Cc2ccccc2-3)C=C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.35
HTR2A P28223 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL22434262 0.87 ALDH1A1 (0.33) LMNA
SCHEMBL22433769 0.81 IDH1 (0.38)
SCHEMBL22147295 0.78 HTR2A (0.46) FADS1HTR2ALMNARAB9ANFKB1
SCHEMBL22433622 0.71 PBRM1 (0.30)
SCHEMBL22433750 0.68
SCHEMBL23300515 0.66 MTNR1A (0.41) FADS1
SCHEMBL31300377 0.61 FADS1 (0.69) FADS1LMNA
SCHEMBL9541314 0.61 FADS1 (0.69) FADS1LMNA
SCHEMBL30223619 0.60 PNMT (0.41) HTR2ADRD2LMNARAB9A
SCHEMBL22433753 0.59 TNKS2 (0.33) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-17 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-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES TST, MT-ND5, MT-ND4L FADS1 4078/4885HTR2A 4452/4885HTR1A 4260/4885

“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.