SCHEMBL4384248

SCHEMBL4384248

N=C(N)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ATM Q13315 2/20 0.40
TLR9 Q9NR96 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSMD14 O00487 1/20 0.38
APAF1 O14727 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MMP2 P08253 1/20 0.38
RAD52 P43351 1/20 0.38
CASP6 P55212 1/20 0.38
UBE2N P61088 1/20 0.38
LMNA P02545 2/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35

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
Hydrochloric Acid SCHEMBL15527206 0.98 KMT2A (0.39) ALDH1A1KMT2AMEN1ATMTLR9
Benzoic Acid SCHEMBL8013438 0.92 TSHR (0.45) KMT2AMEN1ATML3MBTL1POLB
SCHEMBL4373512 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1ATMTLR9
SCHEMBL4210973 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1ATMTLR9
SCHEMBL27920579 0.80 PRSS1 (0.58) ALDH1A1KMT2AMEN1POLBLMNA
Hydrochloric Acid SCHEMBL8764185 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1ATMTLR9
SCHEMBL8628714 0.79 CA2 (0.41) ALDH1A1KMT2AMEN1POLBCASP6
SCHEMBL175271 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1ATMTLR9
SCHEMBL28950933 0.78 NPSR1 (0.48) ALDH1A1KMT2AMEN1ATMTLR9
SCHEMBL11880568 0.77 MEN1 (0.38) ALDH1A1KMT2AMEN1ATMTLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316338-A1 Methods and Intermediates for the Preparation of Optionally Radio-Labeled Imatinib SALTER RHYS (CH) 2012-12-13 US disclosed
CN-101198601-B Methods and intermediates for the preparation of optionally radio-labeled imatinib NOVARTIS AG 2011-09-07 CN disclosed
US-20090299064-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OPTIONALLY RADIO-LABELED IMATINIB SALTER RHYS 2009-12-03 US disclosed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
CN-101198601-A Methods and intermediates for the preparation of optionally radio-labeled imatinib NOVARTIS AG (CH) 2008-06-11 CN disclosed
EP-1896447-A2 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OPTIONALLY RADIO-LABELED IMATINIB Novartis AG (CH) 2008-03-12 EP disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP disclosed
WO-2006133904-A2 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OPTIONALLY RADIO-LABELED IMATINIB NOVARTIS AG (CH) 2006-12-21 WO disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO disclosed
US-5175365-A Preemergence herbicide 1- alpha-ethylbenzyl!-3-nitroguanidine AMERICAN CYANAMID COMPANY (US) 1992-12-29 US disclosed
US-4944788-A Substituted nitro and cyanoguanidines and their use for increasing crop yields AMERICAN CYANAMID COMPANY (US) 1990-07-31 US disclosed
US-4804780-A PLANT GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1989-02-14 US disclosed
EP-0113070-B1 THE USE OF SUBSTITUTED NITRO AND CYANOGUANIDINES FOR INCREASING CROP YIELD AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed
EP-0210446-A2 Nitro- and cyanoguanidines as selective preemergence herbicides and plant defoliants AMERICAN CYANAMID COMPANY (US) 1987-02-04 EP disclosed
US-4639268-A Nitro- and cyanoguanidines as selective preemergence herbicides and plant defoliants AMERICAN CYANAMID COMPANY (US) 1987-01-27 US disclosed
EP-0189579-A1 Substituted nitro and cyanoguanidines and their use for increasing crop yield AMERICAN CYANAMID COMPANY (US) 1986-08-06 EP disclosed
US-4594092-A Cytokinin-like response AMERICAN CYANAMID COMPANY (US) 1986-06-10 US disclosed
EP-0113070-A1 The use of substituted nitro and cyanoguanidines for increasing crop yield AMERICAN CYANAMID COMPANY (US) 1984-07-11 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 (3 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ALDH1A1 376/4885KMT2A 3738/4885MEN1 3644/4885
US-20090299064-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OPTIONALLY RADIO-LABELED IMATINIB ABL1, PDGFRB, PDGFRA ALDH1A1 155/4885KMT2A 545/4885MEN1 1336/4885
US-20120316338-A1 Methods and Intermediates for the Preparation of Optionally Radio-Labeled Imatinib ABL1, PDGFRB, PDGFRA ALDH1A1 151/4885KMT2A 567/4885MEN1 1305/4885

“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.