SCHEMBL7843630

SCHEMBL7843630

C#CC(C)(C)Oc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PYCR1 P32322 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2A6 P11509 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
MAOB P27338 2/20 0.32
NPC1 O15118 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
SCHEMBL2008822 0.81 ELANE (0.56) ELANEALDH1A1KDM4EMAPTMEN1
SCHEMBL9196159 0.81 ACHE (0.41) ELANEALDH1A1MAPTMEN1KMT2A
SCHEMBL8901912 0.79 ELANE (0.39) ELANEPYCR1CA1CA2CA9
SCHEMBL21408547 0.79 MEN1 (0.48) ELANEALDH1A1KDM4EMEN1KMT2A
SCHEMBL8803204 0.79 ELANE (0.42) ELANEALDH1A1KDM4EMAPTMEN1
SCHEMBL9581834 0.79 MAPT (0.44) ELANEALDH1A1KDM4EMAPTRAB9A
SCHEMBL17186898 0.79 PPARA (0.48) ELANEALDH1A1MAPTMEN1KMT2A
SCHEMBL22347377 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18405594 0.78 CA4 (0.39) ELANEALDH1A1MAPTMEN1KMT2A
SCHEMBL7768141 0.76 CA1 (0.39) ELANEPYCR1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 EP disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 US disclosed
EP-0747374-B1 Sulfonamido substituted benzopyran potassium channel activators BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
US-5869478-A ADMINISTERING AS ANTIISCHEMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed
EP-0747374-A1 Sulfonamido substituted benzopyran potassium channel activators BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 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 (2 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN ELANE 3366/4885ALDH1A1 355/4885KDM4E 2649/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P ELANE 3426/4885ALDH1A1 963/4885KDM4E 2949/4885

“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.