SCHEMBL16167239

SCHEMBL16167239

O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)CC1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.42
ADRB1 P08588 1/20 0.42
MAPT P10636 3/20 0.41
CRBN Q96SW2 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
SCN2A Q99250 1/20 0.39
PLEC Q15149 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8103968 0.73 CRBN (0.48) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL16702454 0.73 SIRT6 (0.44) SIRT6ADRB1MAPTALDH1A1MEN1
SCHEMBL31011685 0.69 MAPT (0.56) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL16702064 0.68 AR (0.49) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL6480240 0.68 LMNA (0.43) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL4709358 0.67 SIRT6 (0.56) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL1208101 0.67 SMN1; SMN2 (0.72) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL31481111 0.66 POLB (0.59) SIRT6ADRB1MAPTALDH1A1MEN1
SCHEMBL11183530 0.66 MAPT (0.53) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL24795414 0.66 SIRT6 (0.43) SIRT6ADRB1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190133985-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS, INCLUDING GLIOMAS Orbus Therapeutics, Inc. 2019-05-09 US claimed
US-20160045502-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2016-02-18 US claimed
EP-2983674-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS Brown, Dennis M. (US) 2016-02-17 EP claimed
WO-2014168986-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2014-10-16 WO claimed
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
US-20190133985-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS, INCLUDING GLIOMAS Orbus Therapeutics, Inc. 2019-05-09 US disclosed
US-20160045502-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2016-02-18 US disclosed
EP-2983674-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS Brown, Dennis M. (US) 2016-02-17 EP disclosed
WO-2014168986-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2014-10-16 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 (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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT SIRT6 351/4885ADRB1 4832/4885MAPT 4222/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT SIRT6 351/4885ADRB1 4832/4885MAPT 4222/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT SIRT6 351/4885ADRB1 4832/4885MAPT 4222/4885
US-20160045502-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT SIRT6 351/4885ADRB1 4832/4885MAPT 4222/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT SIRT6 351/4885ADRB1 4832/4885MAPT 4222/4885
US-20190133985-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS, INCLUDING GLIOMAS AHCY, SRM, MAT2A SIRT6 1615/4885ADRB1 4466/4885MAPT 1639/4885

“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.