SCHEMBL16612341

SCHEMBL16612341

COc1ccc(Nc2nc(C)nc3ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ POLB P06746 2/20 0.56
▸ ABCG2 Q9UNQ0 8/20 0.55
▸ AKR1C3 P42330 3/20 0.55
▸ AKR1C2 P52895 3/20 0.55
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KCNMA1 Q12791 1/20 0.51
▸ AKR1B10 O60218 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50

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
SCHEMBL3119149 0.80 MAPT (0.56) MAPTMEN1KMT2APOLBABCG2
SCHEMBL16612291 0.80 MAPT (0.56) MAPTMEN1KMT2APOLBABCG2
SCHEMBL32666085 0.78 KDM4E (0.61) MAPTMEN1KMT2APOLBAKR1C3
SCHEMBL6179431 0.77 AKR1C3 (0.74) MAPTMEN1KMT2APOLBAKR1C3
SCHEMBL16611908 0.74 SHMT2 (0.53) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3108501 0.74 NPY5R (0.72) MAPTMEN1KMT2APOLBABCG2
SCHEMBL11380868 0.74 AKR1C3 (0.58) MAPTMEN1KMT2APOLBAKR1C3
SCHEMBL31220866 0.72 MEN1 (0.68) MAPTMEN1KMT2APOLBAKR1C3
SCHEMBL6178670 0.71 ALDH1A1 (0.57) MAPTMEN1KMT2AAKR1C3AKR1C2
SCHEMBL3113501 0.71 MAPT (0.53) MAPTMEN1KMT2APOLBABCG2

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-2857393-B1 N-ARYL UNSATURATED FUSED RING TERTIARY AMINE COMPOUND, PREPARATION METHOD THEREOF AND ANTITUMOR APPLICATION THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2018-09-12 — — EP disclosed
US-9751884-B2 N-aryl unsaturated fused ring tertiary amine compounds, preparation method and anti-tumor applications thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2017-09-05 — — US disclosed
US-20150141407-A1 N-Aryl Unsaturated Fused Ring Tertiary Amine Compounds, Preparation Method and Anti-Tumor Applications Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-05-21 — — US disclosed
EP-2857393-A1 N-ARYL UNSATURATED FUSED RING TERTIARY AMINE COMPOUND, PREPARATION METHOD THEREOF AND ANTITUMOR APPLICATION THEREOF Institute Of Pharmacology And Toxicology Academy Of Militaty Medical Sciences P.L.A. (CN) 2015-04-08 — — 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 (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-20150141407-A1 N-Aryl Unsaturated Fused Ring Tertiary Amine Compounds, Preparation Method and Anti-Tumor Applications Thereof H1-0, H1-5, H1-3 MAPT 3427/4885MEN1 746/4885KMT2A 1467/4885

“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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