SCHEMBL2393552

SCHEMBL2393552

Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
GAA P10253 1/20 0.65
PKM P14618 4/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MDM2 Q00987 1/20 0.49

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
SCHEMBL2266732 1.00 LMNA (0.65) LMNAGAAPKMHTTALDH1A1
SCHEMBL2266727 1.00 LMNA (0.65) LMNAGAAPKMHTTALDH1A1
SCHEMBL4646949 0.86 LMNA (0.65) LMNAGAAPKMHTTALDH1A1
SCHEMBL4646954 0.86 LMNA (0.65) LMNAGAAPKMHTTALDH1A1
SCHEMBL3877038 0.86 LMNA (0.65) LMNAGAAPKMHTTALDH1A1
SCHEMBL31647216 0.86 LMNA (0.65) LMNAGAAPKMHTTALDH1A1
SCHEMBL31646967 0.83 ALDH1A1 (0.70) LMNAGAAPKMHTTALDH1A1
SCHEMBL4243893 0.81 LMNA (0.73) LMNAGAAHTTALDH1A1KDM4E
SCHEMBL15477423 0.80 CYP2D6 (0.46) CHRM2CHRM1
SCHEMBL1699515 0.79 GAA (0.81) LMNAGAAPKMHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-12-14 US disclosed
US-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-12-14 US disclosed
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO LTD (KR) 2017-03-09 US disclosed
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO LTD (KR) 2017-03-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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 (4 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-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC LMNA 3611/4885GAA 1963/4885PKM 1286/4885
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 LMNA 1863/4885GAA 3352/4885PKM 3124/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 LMNA 1863/4885GAA 3352/4885PKM 3124/4885
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC LMNA 3611/4885GAA 1963/4885PKM 1286/4885

“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.