SCHEMBL3196291

SCHEMBL3196291

COc1ccccc1-c1nc2cc(N)ccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 6/20 0.55
MAPT P10636 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
GAA P10253 5/20 0.55
GLA P06280 2/20 0.55
HCRTR1 O43613 1/20 0.55
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 4/20 0.54
POLB P06746 2/20 0.54
NFKB1 P19838 1/20 0.54
GFER P55789 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
APP P05067 1/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL12639230 0.86 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14438074 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28703852 0.84 AHR (0.65) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13866544 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3201134 0.84 CYP1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1983245 0.83 MEN1 (0.70) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27984998 0.83 MAPT (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL30161844 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2088159 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3204159 0.80 MAPT (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
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 ALDH1A1 1195/4885KDM4E 3052/4885MAPT 4542/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ALDH1A1 1195/4885KDM4E 3052/4885MAPT 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.