SCHEMBL537508

SCHEMBL537508

COC(=O)CCNCc1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
CHRM2 P08172 1/20 0.60
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LTA4H P09960 1/20 0.52
F2RL1 P55085 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51
S1PR1 P21453 1/20 0.51

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
Hydrochloric Acid SCHEMBL3508365 0.89 CHRM2 (0.64) MEN1KMT2AATMCHRM2ALDH1A1
SCHEMBL9832496 0.88 KDM4E (0.58) MEN1KMT2AATMCHRM2ALDH1A1
Hydrochloric Acid SCHEMBL3509247 0.88 CHRM2 (0.67) MEN1KMT2AATMCHRM2ALDH1A1
SCHEMBL3214390 0.87 MEN1 (0.64) MEN1KMT2AATMCHRM2ALDH1A1
SCHEMBL7111468 0.85 SMN1; SMN2 (0.59) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL13870210 0.85 CHRM2 (0.53) MEN1KMT2AATMCHRM2LTA4H
SCHEMBL3142544 0.85 CA2 (0.49) MEN1KMT2AATMCHRM2ALDH1A1
SCHEMBL20272366 0.83 TPSAB1 (0.50) MEN1KMT2AATMCHRM2ALDH1A1
SCHEMBL16503439 0.83 CA12 (0.48) MEN1KMT2AATMCHRM2ALDH1A1
SCHEMBL15382480 0.83 CA12 (0.48) MEN1KMT2AATMCHRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
CN-105164127-A Bromodomain inhibitors ABBVIE INC 2015-12-16 CN disclosed
US-9050346-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-06-09 US disclosed
WO-2014164771-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 US disclosed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 US disclosed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 US disclosed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 US disclosed
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-04-18 US disclosed
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-04-18 US disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP disclosed
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 US disclosed
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 US disclosed
EP-1569929-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF i FLAVIVIRUS /i INFECTIONS Virochem Pharma Inc. (CA) 2005-09-07 EP disclosed
US-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2005-01-13 US disclosed
WO-2004052885-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2004-06-24 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 (5 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-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX MEN1 3705/4885KMT2A 1784/4885ATM 4049/4885
US-20140256705-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MEN1 948/4885KMT2A 238/4885ATM 1201/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX MEN1 3705/4885KMT2A 1784/4885ATM 4049/4885
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 MEN1 1767/4885KMT2A 2836/4885ATM 518/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX MEN1 3705/4885KMT2A 1784/4885ATM 4049/4885

“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.