SCHEMBL3207284

SCHEMBL3207284

O=[N+]([O-])c1ccc2nc(-c3ccccc3)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.58
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NPBWR1 P48145 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
OPRK1 P41145 1/20 0.52
NQO2 P16083 1/20 0.51
THRB P10828 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP19A1 P11511 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
EIF4A1 P60842 1/20 0.47

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
SCHEMBL26613519 0.81 ABCG2 (0.47) ELANENPC1RAB9AMAPTALDH1A1
SCHEMBL29746264 0.81 ABCG2 (0.47) ELANENPC1RAB9AMAPTALDH1A1
SCHEMBL9595911 0.81 RAB9A (0.65) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL20557641 0.80 NPC1 (0.68) ELANENPC1RAB9AMAPTALDH1A1
SCHEMBL30469262 0.80 NPC1 (0.68) ELANENPC1RAB9AMAPTALDH1A1
SCHEMBL7360004 0.80 ELANE (0.43) ELANENPC1RAB9AMAPTALDH1A1
SCHEMBL28881645 0.80 NPC1 (0.45) ELANENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12814738 0.79 NPC1 (0.71) ELANENPC1RAB9AMAPTALDH1A1
SCHEMBL1712398 0.79 EIF4A1 (0.54) ELANENPC1RAB9AMAPTALDH1A1
SCHEMBL9164886 0.79 ESR1 (0.55) ELANENPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555026-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-01-17 US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 US disclosed
EP-3668496-A1 AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-06-24 EP disclosed
CN-111163766-A AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2020-05-15 CN disclosed
CN-105949118-B A kind of preparation method of 2- aryl quinoline derivatives 河南工业大学 2019-02-26 CN disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 US disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 US disclosed
WO-2019036657-A1 AHR INHIBITORS AND USES THEREOF KYN THERAPEUTICS (US) 2019-02-21 WO disclosed
WO-2019036657-A1 AHR INHIBITORS AND USES THEREOF KYN THERAPEUTICS (US) 2019-02-21 WO disclosed
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 CN disclosed
CN-105949118-A Preparation method of 2-aryl quinoline derivatives 河南工业大学 2016-09-21 CN disclosed
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 CN 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 (6 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-11555026-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 ELANE 1908/4885NPC1 2197/4885RAB9A 4623/4885
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 ELANE 1908/4885NPC1 2197/4885RAB9A 4623/4885
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 ELANE 467/4885NPC1 4082/4885RAB9A 2198/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ELANE 467/4885NPC1 4082/4885RAB9A 2198/4885
US-10696650-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 ELANE 1908/4885NPC1 2197/4885RAB9A 4623/4885
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 ELANE 1908/4885NPC1 2197/4885RAB9A 4623/4885

“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.