SCHEMBL3694383

SCHEMBL3694383

Nc1nc2c(nc(Cl)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 3/20 0.54
▸ CYP3A4 P08684 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ADRB1 P08588 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ TK1 P04183 1/20 0.42

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
SCHEMBL3694386 1.00 PNP (0.54) PNPCYP3A4MAPTPOLBLMNA
SCHEMBL655858 0.89 PNP (0.65) PNPCYP3A4MAPTPOLBLMNA
SCHEMBL655857 0.89 PNP (0.65) PNPCYP3A4MAPTPOLBLMNA
SCHEMBL21779018 0.88 PNP (0.55) PNPCYP3A4MAPTPOLBLMNA
SCHEMBL114652 0.88 PNP (0.55) PNPCYP3A4MAPTPOLBLMNA
SCHEMBL195548 0.88 PNP (0.55) PNPCYP3A4MAPTPOLBLMNA
SCHEMBL3868526 0.87 PNP (0.54) PNPCYP3A4MAPTPOLBLMNA
SCHEMBL18723297 0.87 PNP (0.54) PNPCYP3A4MAPTPOLBLMNA
SCHEMBL14543297 0.87 PNP (0.54) PNPCYP3A4MAPTPOLBLMNA
SCHEMBL657361 0.87 PNP (0.54) PNPCYP3A4MAPTPOLBLMNA

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
EP-2707483-B1 METHODS AND MATERIALS FOR NUCLEIC ACID MANIPULATION RWTH AACHEN UNIV (DE) 2017-10-18 — — EP disclosed
US-20120295311-A1 Methods and Materials for Nucleic Acid Manipulation BASF SE (DE) 2012-11-22 — — US disclosed
US-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 — — US disclosed
WO-2010136546-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS Université Libre de Bruxelles (BE) 2010-12-02 — — 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-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS MPO, SERPINB1, MAOA PNP 857/4885CYP3A4 452/4885MAPT 3374/4885

“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.

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