SCHEMBL2459654

SCHEMBL2459654

CCOc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 1.00
▸ KMT2A Q03164 10/20 1.00
▸ NPC1 O15118 1/20 1.00
▸ RAB9A P51151 1/20 1.00
▸ IDO1 P14902 4/20 0.78
▸ MYC P01106 7/20 0.67
▸ MAPT P10636 4/20 0.63
▸ MAX P61244 3/20 0.63
▸ PSMD14 O00487 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.63
▸ OPRK1 P41145 1/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ POLB P06746 1/20 0.53
▸ GAA P10253 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
SCHEMBL300125 0.88 IDO1 (1.00) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL409789 0.85 IDO1 (0.74) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL300424 0.83 IDO1 (1.00) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL6834810 0.82 IDO1 (0.78) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL16107923 0.81 MEN1 (0.73) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL6833753 0.81 IDO1 (0.76) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL6834736 0.81 IDO1 (0.76) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL3702011 0.81 IDO1 (0.76) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL300082 0.81 IDO1 (0.76) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL3712058 0.80 MEN1 (1.00) MEN1KMT2ANPC1RAB9AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 — — US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 — — US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 — — US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 — — US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 — — US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 — — US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 — — US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 — — US disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 — — 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 (4 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 MEN1 4495/4885KMT2A 2800/4885NPC1 456/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MEN1 4495/4885KMT2A 2800/4885NPC1 456/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 MEN1 4495/4885KMT2A 2800/4885NPC1 456/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MEN1 4495/4885KMT2A 2800/4885NPC1 456/4885

“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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