SCHEMBL7115394

SCHEMBL7115394

[C-]#[N+]c1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TSHR P16473 5/20 0.60
TDP1 Q9NUW8 2/20 0.60
CYP3A4 P08684 4/20 0.56
ACHE P22303 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4A P27815 1/20 0.42
BLM P54132 1/20 0.42
PDE1B Q01064 1/20 0.42
PMP22 Q01453 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
SCHEMBL29955170 1.00 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4ACHE
Hydrochloric Acid SCHEMBL7124230 0.98 ALDH1A1 (0.58) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL10966874 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL29954598 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL6650089 0.81 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL9607638 0.79 POLB (0.49) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL29957247 0.78 HSD17B10 (0.60) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL2627236 0.78 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CYP3A4HSD17B10
SCHEMBL13303843 0.78 HSD17B10 (0.60) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL13414579 0.78 CYP3A4 (0.55) ALDH1A1TSHRTDP1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20150057452-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS CATYLIX, INC. (US) 2015-02-26 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 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 (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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885TSHR 2827/4885TDP1 1543/4885
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 ALDH1A1 569/4885TSHR 2698/4885TDP1 1414/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 ALDH1A1 587/4885TSHR 67/4885TDP1 3939/4885
US-20150057452-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 ALDH1A1 1680/4885TSHR 229/4885TDP1 4245/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885TSHR 2827/4885TDP1 1543/4885
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 ALDH1A1 2182/4885TSHR 402/4885TDP1 2628/4885

“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.