SCHEMBL3205897

SCHEMBL3205897

Nc1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.81
KMT2A Q03164 10/20 0.81
MAPT P10636 10/20 0.81
ALDH1A1 P00352 9/20 0.81
GAA P10253 9/20 0.81
KDM4E B2RXH2 8/20 0.81
SMN1; SMN2 Q16637 7/20 0.81
NPC1 O15118 7/20 0.81
RAB9A P51151 7/20 0.81
HPGD P15428 7/20 0.81
POLB P06746 6/20 0.81
TP53 P04637 4/20 0.81
USP2 O75604 3/20 0.81
CACNA1B Q00975 2/20 0.81
APBA1 Q02410 2/20 0.81
THRB P10828 2/20 0.81
TDP1 Q9NUW8 2/20 0.81
LMNA P02545 2/20 0.81
BLM P54132 5/20 0.76
HTT P42858 3/20 0.76

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
SCHEMBL6483421 0.90 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3205888 0.88 ALDH1A1 (0.63) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6493579 0.86 MAPT (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2251258 0.85 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL26731643 0.84 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL12351750 0.84 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL363703 0.84 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL20982512 0.84 MEN1 (0.96) MEN1KMT2AMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL3199369 0.83 MEN1 (0.97) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL12351220 0.81 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1GAA

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
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 EP 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 (2 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 MEN1 3366/4885KMT2A 3630/4885MAPT 4542/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 MEN1 3366/4885KMT2A 3630/4885MAPT 4542/4885

“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.