SCHEMBL6100385

SCHEMBL6100385

NCCNC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.59
LMNA P02545 1/20 0.51
MC4R P32245 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5000615 1.00 MMP2 (0.59) MMP2LMNAMC4RLOXL2DPP4
SCHEMBL12793689 0.92 MMP2 (0.57) MMP2LMNAMC4R
SCHEMBL6522414 0.89 MMP2 (0.61) MMP2LMNAMC4RLOXL2DPP4
SCHEMBL8829950 0.87 LMNA (0.49) MMP2LMNALOXL2KMT2A
SCHEMBL8136955 0.86 LMNA (0.48) MMP2LMNALOXL2KMT2A
SCHEMBL5967317 0.84 MMP2 (0.55) MMP2LMNAKMT2A
SCHEMBL7064628 0.84 MMP2 (0.55) MMP2LMNADPP7
SCHEMBL18830580 0.84 MMP2 (0.65) MMP2LMNAKMT2A
SCHEMBL5967323 0.84 MMP2 (0.55) MMP2LMNAKMT2A
Hydrochloric Acid SCHEMBL6802090 0.83 MMP2 (0.54) MMP2LMNADPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040626-B2 Nanofibers and morphology shifting micelles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-26 US disclosed
US-20120149843-A1 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-14 US disclosed
US-6995247-B2 Ac-HEHA and related compounds, methods of synthesis and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-02-07 US disclosed
US-20040184991-A1 Ac-HEHA and related compounds, methods of synthesis and methods of use THE GOVERNMENT OF THE USA, AS REPRESENTED BY THE SECRETARY, DPT. OF HEALTH AND HUMAN SERVICES 2004-09-23 US disclosed
US-6696551-B1 RADIOIMMUNOTHERAPY, DECONTAMINATION AND DETOXIFICATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-02-24 US disclosed
WO-2000059896-A1 225Ac-HEHA AND RELATED COMPOUNDS, METHODS OF SYNTHESIS AND METHODS OF USE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-10-12 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 (2 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-20120149843-A1 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES MFAP1, LGALS4, TLN1 MMP2 2404/4885LMNA 62/4885MC4R 3862/4885
US-20040184991-A1 Ac-HEHA and related compounds, methods of synthesis and methods of use APEH, DOHH, DDAH1 MMP2 1784/4885LMNA 2326/4885MC4R 4131/4885

“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.