SCHEMBL1395845

SCHEMBL1395845

NC(=O)Cc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ CA12 O43570 1/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ CA7 P43166 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ EPHX2 P34913 4/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ACACB O00763 1/20 0.54
▸ TBXAS1 P24557 1/20 0.53

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
SCHEMBL3569060 0.88 LTA4H (0.67) LTA4HGAASMN1; SMN2CA12CA1
SCHEMBL10897064 0.86 ALDH1A1 (0.67) LTA4HGAASMN1; SMN2CA12CA1
SCHEMBL14987027 0.85 KDM4E (0.62) LTA4HSMN1; SMN2ALDH1A1KDM4EEPHX2
SCHEMBL28502559 0.84 NPC1 (0.67) LTA4HGAASMN1; SMN2CA12CA1
SCHEMBL7400266 0.84 GAA (0.62) LTA4HGAASMN1; SMN2CA12CA1
SCHEMBL3007594 0.83 GAA (0.71) LTA4HGAASMN1; SMN2CA12CA1
SCHEMBL15160748 0.83 GAA (0.60) LTA4HGAASMN1; SMN2CA12CA1
SCHEMBL10377 0.83 NPC1 (0.58) LTA4HGAASMN1; SMN2CA12CA1
Hydrochloric Acid SCHEMBL14742324 0.82 GAA (0.70) GAASMN1; SMN2CA12CA1CA2
SCHEMBL5510481 0.81 AOC3 (0.55) CA2ALDH1A1KDM4EEPHX2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 — — US disclosed
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 — — US disclosed
US-9447088-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2016-09-20 — — US disclosed
US-20150328208-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2015-11-19 — — US disclosed
US-20140200199-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. 2014-07-17 — — US disclosed
US-8754078-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2014-06-17 — — US disclosed
US-20130150310-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2013-06-13 — — US disclosed
EP-2396003-B1 A composition comprising (-)-trans-3-(5,6-dihydro-4h-pyrrolo [3,2,1-ij] quinolin-1-yl)-4-(1h-indol-3-yl) pyrrolidine-2, 5-dione in combination with sorafenib, sunitinib or erlotinib ARQULE INC (US) 2013-04-17 — — EP disclosed
US-8377927-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2013-02-19 — — US disclosed
EP-2289892-B1 Maleimide derivatives, pharmaceutical compositions amd methods for treatment of cancer ARQULE INC (US) 2012-08-22 — — EP disclosed
EP-2396003-A2 A COMPOSITION COMPRISING (-)-TRANS-3-(5,6-DIHYDRO-4H-PYRROLO [3,2,1-IJ] QUINOLIN-1-YL)-4-(1H-INDOL-3-YL) PYRROLIDINE-2, 5-DIONE IN COMBINATION WITH A SECOND ANTI-PROLIFERATIVE AGENT, ArQule, Inc. (US) 2011-12-21 — — EP disclosed
EP-2289892-A1 Maleimide derivatives, pharmaceutical compositions amd methods for treatment of cancer ArQule, Inc. (US) 2011-03-02 — — EP disclosed
US-20100297075-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2010-11-25 — — US disclosed
EP-1846406-B1 MALEIMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE INC (US) 2010-11-03 — — EP disclosed
US-20100221251-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-09-02 — — US disclosed
WO-2010093789-A2 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2010-08-19 — — WO disclosed
US-7713969-B2 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer ARQULE, INC. (US) 2010-05-11 — — US disclosed
EP-1846406-A1 MALEIMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ArQule, Inc. (US) 2007-10-24 — — EP disclosed
US-20060223760-A1 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer ARQULE, INC. 2006-10-05 — — US disclosed
WO-2006086484-A1 MELEIMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2006-08-17 — — 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 (7 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-20100297075-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER TP53, MKI67, POLI LTA4H 3886/4885GAA 2298/4885SMN1; SMN2 1867/4885
US-20150328208-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER TP53, MKI67, POLI LTA4H 3886/4885GAA 2298/4885SMN1; SMN2 1867/4885
US-20140200199-A1 Compositions and Methods for Treatment of Cancer MKI67, NUP205, TP53 LTA4H 3018/4885GAA 1789/4885SMN1; SMN2 2196/4885
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER MKI67, NUP205, TP53 LTA4H 3018/4885GAA 1789/4885SMN1; SMN2 2196/4885
US-20100221251-A1 Compositions and Methods for Treatment of Cancer PDCD5, TP53, NUP205 LTA4H 3463/4885GAA 1339/4885SMN1; SMN2 2087/4885
US-20130150310-A1 Compositions and Methods for Treatment of Cancer MKI67, NUP205, TP53 LTA4H 3018/4885GAA 1789/4885SMN1; SMN2 2196/4885
US-20060223760-A1 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer MCL1, BRCA1, IDO1 LTA4H 2319/4885GAA 3764/4885SMN1; SMN2 2298/4885

“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.

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