SCHEMBL773419

SCHEMBL773419

CB(O)N1CCC(N2C(=O)c3cc(N)c([N+](=O)[O-])cc3C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
MAPT P10636 10/20 0.36
ALDH1A1 P00352 3/20 0.36
HSP90AA1 P07900 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 0.33
SIRT6 Q8N6T7 1/20 0.33
POLB P06746 2/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL773401 0.86 TSHR (0.38) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL768508 0.84 MAPT (0.45) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL12135389 0.80 MAPT (0.42) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL15945776 0.78 HSP90AA1 (0.36) MEN1KMT2AMAPTALDH1A1HSP90AA1
SCHEMBL768226 0.77 CTSD (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL773676 0.77 HSP90AA1 (0.35) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL441279 0.69 TDP1 (0.47) MEN1KMT2AMAPTALDH1A1HSP90AA1
SCHEMBL768152 0.68 TMEM97 (0.46) ACHEMAPTALDH1A1LMNAL3MBTL1
SCHEMBL768068 0.67 MEN1 (0.40) ACHEMEN1KMT2AMAPTLMNA
SCHEMBL13692468 0.67 TMEM97 (0.39) ACHEMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ACHE 3905/4885MEN1 1427/4885KMT2A 2169/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ACHE 3905/4885MEN1 1427/4885KMT2A 2169/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP ACHE 3905/4885MEN1 1427/4885KMT2A 2169/4885

“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.