SCHEMBL768327

SCHEMBL768327

NCC(O)COc1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
NR2E1 Q9Y466 1/20 0.61
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 1/20 0.57
ATM Q13315 1/20 0.57
POLB P06746 1/20 0.54
KCNH2 Q12809 1/20 0.50
TSHR P16473 1/20 0.46
CYP1A2 P05177 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.45
AGTR1 P30556 1/20 0.45
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.42
HTR7 P34969 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
SCHEMBL768326 1.00 ALOX15 (0.61) ALOX15NR2E1KMT2AMEN1SMN1; SMN2
SCHEMBL1496619 0.84 CYP1A2 (0.64) ALOX15NR2E1KMT2AMEN1SMN1; SMN2
SCHEMBL28670310 0.84 CYP1A2 (0.64) ALOX15NR2E1KMT2AMEN1SMN1; SMN2
SCHEMBL1496556 0.84 KMT2A (0.63) ALOX15NR2E1KMT2AMEN1SMN1; SMN2
SCHEMBL1496804 0.82 KMT2A (0.62) ALOX15KMT2AMEN1SMN1; SMN2GAA
SCHEMBL1496691 0.82 KMT2A (0.57) ALOX15NR2E1KMT2AMEN1SMN1; SMN2
SCHEMBL768296 0.80 ALOX15 (0.48) ALOX15NR2E1KMT2AMEN1SMN1; SMN2
SCHEMBL768105 0.80 PKM (0.53) ALOX15NR2E1KMT2AMEN1SMN1; SMN2
SCHEMBL768104 0.80 PKM (0.53) ALOX15NR2E1KMT2AMEN1SMN1; SMN2
SCHEMBL768295 0.80 ALOX15 (0.48) ALOX15NR2E1KMT2AMEN1SMN1; SMN2

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 9 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
US-4048100-A Polyhalogenated polyols and foamed polyurethanes prepared from them THE DOW CHEMICAL COMPANY (US) 1977-09-13 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 ALOX15 1055/4885NR2E1 1975/4885KMT2A 2169/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALOX15 1055/4885NR2E1 1975/4885KMT2A 2169/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP ALOX15 1055/4885NR2E1 1975/4885KMT2A 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.