SCHEMBL6972588

SCHEMBL6972588

NCCCCCCc1c[nH]c2ccc(F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 16/20 1.00
HTR2A P28223 1/20 0.77
TRPM8 Q7Z2W7 1/20 0.77
HTR1A P08908 2/20 0.75
KMT2A Q03164 1/20 0.75
SLC6A4 P31645 7/20 0.71
GPR84 Q9NQS5 1/20 0.61

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
SCHEMBL2403830 1.00 MPO (1.00) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL7819881 1.00 MPO (1.00) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL3705476 0.98 MPO (1.00) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL3702815 0.94 MPO (1.00) MPOHTR2ATRPM8HTR1AKMT2A
Oxalic Acid SCHEMBL3696222 0.92 MPO (0.85) MPOHTR2ATRPM8HTR1AKMT2A
Oxalic Acid SCHEMBL3698072 0.92 MPO (0.85) MPOHTR2ATRPM8HTR1AKMT2A
Oxalic Acid SCHEMBL3699113 0.90 MPO (0.84) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL28364393 0.87 MPO (1.00) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL387663 0.87 MPO (1.00) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL30155707 0.87 MPO (1.00) MPOHTR2ATRPM8HTR1AKMT2A

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-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 US disclosed
US-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 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-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS MPO, SERPINB1, MAOA MPO 1/4885HTR2A 145/4885TRPM8 3657/4885

“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.