SCHEMBL3757019

SCHEMBL3757019

O=C(OC(=O)c1cccc2cc([N+](=O)[O-])ccc12)c1cccc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ DUSP3 P51452 1/20 0.52
▸ PTPN5 P54829 1/20 0.52
▸ PTPN11 Q06124 1/20 0.52
▸ ALOX5 P09917 2/20 0.46
▸ TSHR P16473 5/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PTGES O14684 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ RORC P51449 1/20 0.42

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
SCHEMBL4962039 0.88 MEN1 (0.52) MEN1KMT2APOLBHPGDDUSP3
SCHEMBL6986224 0.85 SMN1; SMN2 (0.55) MEN1KMT2APOLBHPGDDUSP3
SCHEMBL3556091 0.84 PTPN1 (0.58) MEN1KMT2ATSHRTDP1ALDH1A1
SCHEMBL3858203 0.84 ALDH1A1 (0.42) MEN1KMT2APOLBHPGDDUSP3
SCHEMBL23909557 0.83 ALDH1A1 (0.54) MEN1KMT2APOLBHPGDDUSP3
SCHEMBL3855978 0.83 TDP1 (0.57) MEN1KMT2APOLBHPGDDUSP3
SCHEMBL7673918 0.83 ALDH1A1 (0.53) MEN1KMT2APOLBHPGDDUSP3
SCHEMBL17288756 0.81 TSHR (0.46) MEN1KMT2APOLBHPGDDUSP3
SCHEMBL26885154 0.79 LMNA (0.56) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL9077610 0.77 ALDH1A1 (0.44) MEN1KMT2APOLBHPGDDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 — — WO disclosed
US-20140378503-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY 2014-12-25 — — US disclosed
US-8829025-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2014-09-09 — — US disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 — — EP disclosed
US-20130225634-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2013-08-29 — — US disclosed
US-8420665-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2013-04-16 — — US disclosed
US-20100303719-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2010-12-02 — — US disclosed
WO-2009089537-A2 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2009-07-16 — — WO disclosed
EP-1871844-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C Technologies LLC (US) 2008-01-02 — — EP disclosed
WO-2007064345-A9 HETEROCYCLIC-SUBSTITUTED BIS-1,8 NAPHTHALIMIDE COMPOUNDS, ANTIBODY DRUG CONJUGATES, AND METHODS OF USE GENENTECH INC (US) 2007-07-12 — — WO disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 — — WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 — — US disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 — — US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 — — US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 — — WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 — — WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 — — WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 — — WO disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 — — US disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 — — US 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 (8 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR MEN1 2817/4885KMT2A 3653/4885POLB 157/4885
US-20140378503-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC MEN1 988/4885KMT2A 1803/4885POLB 1443/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT MEN1 1113/4885KMT2A 3047/4885POLB 867/4885
US-20100303719-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC MEN1 988/4885KMT2A 1803/4885POLB 1443/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 MEN1 3449/4885KMT2A 2738/4885POLB 434/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 MEN1 3755/4885KMT2A 1465/4885POLB 2689/4885
US-20130225634-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC MEN1 988/4885KMT2A 1803/4885POLB 1443/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH MEN1 3006/4885KMT2A 1508/4885POLB 470/4885

“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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