SCHEMBL3571026

SCHEMBL3571026

CCO/C=C/C(=O)Nc1ccc(Br)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ PKM P14618 1/20 0.51
▸ NPC1 O15118 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43

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
SCHEMBL3571028 1.00 RAB9A (0.58) RAB9AKMT2AALDH1A1PKMNPC1
SCHEMBL25911640 0.85 ALDH1A1 (0.46) RAB9AKMT2AALDH1A1PKMNPC1
SCHEMBL16906037 0.84 GRM4 (0.48) RAB9AKMT2AALDH1A1PKMMAPT
SCHEMBL31203256 0.83 KMT2A (0.46) RAB9AKMT2AALDH1A1NPC1MAPT
SCHEMBL27030120 0.82 ALDH1A1 (0.48) RAB9AKMT2AALDH1A1PKMNPC1
SCHEMBL30355109 0.82 ALDH1A1 (0.48) RAB9AKMT2AALDH1A1PKMNPC1
SCHEMBL2321687 0.81 RAB9A (0.53) RAB9AKMT2AALDH1A1PKMNPC1
SCHEMBL3973119 0.81 RAB9A (0.53) RAB9AKMT2AALDH1A1PKMNPC1
SCHEMBL3973117 0.81 RAB9A (0.53) RAB9AKMT2AALDH1A1PKMNPC1
SCHEMBL15708023 0.80 NMT1 (0.58) ALDH1A1MAPTSMN1; SMN2TP53LMNA

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-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 — — US disclosed
US-7728007-B2 Therapeutic amides WAYNE STATE UNIVERSITY (US) 2010-06-01 — — US disclosed
US-7585863-B2 Antitumor agents; such as (2-(4-(7-Chloro-2-quinoxalinyl)oxy)propionylamino ethansulfonic acid; {2-{4-(7-Chloro-quinoxalin-2-yloxy)-phenoxy}propionyl amino}acetic acid WAYNE STATE UNIVERSITY (US) 2009-09-08 — — US disclosed
US-7507749-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2009-03-24 — — US disclosed
US-20090076073-A1 THERAPEUTIC AMIDES WAYNE STATE UNIVERSITY 2009-03-19 — — US disclosed
US-20070232643-A1 Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides WAYNE STATE UNIVERSITY 2007-10-04 — — US disclosed
US-7241894-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2007-07-10 — — US disclosed
US-20060293333-A1 Antitumor agents; such as (2-(4-(7-Chloro-2-quinoxalinyl)oxy)propionylamino ethansulfonic acid; {2-{4-(7-Chloro-quinoxalin-2-yloxy)-phenoxy}propionyl amino}acetic acid WAYNE STATE UNIVERSITY 2006-12-28 — — US disclosed
US-7109341-B2 Therapeutic amides WAYNE STATE UNIVERSITY (US) 2006-09-19 — — US disclosed
US-20050159447-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-07-21 — — US disclosed
US-6867219-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2005-03-15 — — US disclosed
EP-1412332-B1 QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS UNIV WAYNE STATE (US) 2005-01-19 — — EP disclosed
US-20040132618-A1 Therapeutic amides NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-08 — — US disclosed
EP-1412332-A1 QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2004-04-28 — — EP disclosed
WO-2004005260-A1 A-`7-HALO-2-QUINO (XA-) LINYLOXY!PHENOXY-PROPIONIC ACID DERIVATIVES AS ANTINEOPLASTIC AGENTS WAYNE STATE UNIVERSITY (US) 2004-01-15 — — WO disclosed
WO-2004004651-A2 THERAPEUTIC AMIDES WAYNE STATE UNIVERSITY (US) 2004-01-15 — — WO disclosed
US-20030144321-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-31 — — US disclosed
WO-2003011832-A1 QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2003-02-13 — — WO disclosed
US-4710507-A Quinolone inotropic agents PFIZER INC. (US) 1987-12-01 — — US disclosed
EP-0148623-A2 Quinolone inotropic agents Pfizer Limited (GB) 1985-07-17 — — EP 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-20060293333-A1 Antitumor agents; such as (2-(4-(7-Chloro-2-quinoxalinyl)oxy)propionylamino ethansulfonic acid; {2-{4-(7-Chloro-quinoxalin-2-yloxy)-phenoxy}propionyl amino}acetic acid ANXA5, TP53, PRDX6 RAB9A 1249/4885KMT2A 1709/4885ALDH1A1 329/4885
US-20070232643-A1 Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides NRAS, KRAS, BRAF RAB9A 2030/4885KMT2A 69/4885ALDH1A1 383/4885
US-20040132618-A1 Therapeutic amides HDAC5, HDAC6, ASAH2 RAB9A 650/4885KMT2A 521/4885ALDH1A1 1175/4885
US-20030144321-A1 Antitumor agents MCL1, FLI1, MGMT RAB9A 1504/4885KMT2A 405/4885ALDH1A1 856/4885
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS BRD4, BRPF3, BRD3 RAB9A 2317/4885KMT2A 404/4885ALDH1A1 3256/4885
US-20050159447-A1 Antitumor agents MGMT, TP53, MCL1 RAB9A 1438/4885KMT2A 298/4885ALDH1A1 1237/4885
US-20090076073-A1 THERAPEUTIC AMIDES HDAC5, HDAC6, ASAH2 RAB9A 502/4885KMT2A 477/4885ALDH1A1 1259/4885

“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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