SCHEMBL768128

SCHEMBL768128

CCOC(=O)c1cc([N+](=O)[O-])c(N)c(C)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 3/20 0.51
GALR2 O43603 1/20 0.51
MITF O75030 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.45
MAPT P10636 7/20 0.42
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL767135 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL441532 0.78 TSHR (0.47) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL768127 0.78 PDGFRB (0.49) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL11282260 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL11418690 0.76 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL11244929 0.76 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL11397560 0.76 PDGFRB (0.47) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL6555647 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL1096955 0.74 TDP1 (0.59) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
Benzene SCHEMBL28647108 0.74 TDP1 (0.59) ALDH1A1SMN1; SMN2LMNAPOLBGALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066673-B1 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE CORP (US) 2016-12-28 EP disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
EP-2066673-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2009-06-10 EP disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 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 (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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALDH1A1 1899/4885SMN1; SMN2 2866/4885LMNA 3556/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALDH1A1 1899/4885SMN1; SMN2 2866/4885LMNA 3556/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP ALDH1A1 1899/4885SMN1; SMN2 2866/4885LMNA 3556/4885

“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.