SCHEMBL3911049

SCHEMBL3911049

O=C(CBr)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CA1 P00915 1/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
FFAR1 O14842 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
STAT3 P40763 1/20 0.48
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
PTPN11 Q06124 1/20 0.47

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
SCHEMBL15267699 0.87 KMT2A (0.60) ALDH1A1MEN1KMT2AMITFPOLB
SCHEMBL28010779 0.85 POLB (0.57) CA12CA2CA9ALDH1A1CYP1A2
SCHEMBL6932060 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBTP53
SCHEMBL7687241 0.82 MAPT (0.62) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL2843886 0.82 CA12 (0.56) CA12CA2CA9ALDH1A1CYP1A2
SCHEMBL9912437 0.82 CA12 (0.56) CA12CA2CA9ALDH1A1CYP1A2
SCHEMBL230627 0.81 HDAC4 (0.62) MEN1KMT2AGAATP53TSHR
SCHEMBL1561735 0.80 CYP1A2 (0.60) CYP1A2CYP2C9
SCHEMBL1663647 0.80 CA2 (0.58) CA12CA2CA9ALDH1A1CYP1A2
SCHEMBL2940113 0.80 ALDH1A1 (0.65) CA12CA2CA9ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353152-B2 Induction of the mitochondrial permeability transition NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2016-05-31 US disclosed
US-8921515-B2 Methods and compositions of preparation for proteome analysis CASE WESTERN RESERVE UNIVERSITY (US) 2014-12-30 US disclosed
US-20140121165-A1 Induction of the Mitochondrial Permeability Transition NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2014-05-01 US disclosed
US-20130172539-A1 METHODS AND COMPOSITIONS OF PREPARATION FOR PROTEOME ANALYSIS CASE WESTERN RESERVE UNIVERSITY (US) 2013-07-04 US disclosed
EP-2088206-B1 Induction of the mitochondrial permeability transition NEWSOUTH INNOVATIONS PTY LTD (AU) 2013-07-03 EP disclosed
EP-2088206-A2 Induction of the mitochondrial permeability transition NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2009-08-12 EP disclosed
EP-1563099-B1 INDUCTION OF THE MITOCHONDRIAL PERMEABILITY TRANSITION NEWSOUTH INNOVATIONS PTY LTD (AU) 2009-07-22 EP disclosed
EP-1686188-B1 Thin membrane for measuring protease activity FUJIFILM CORP (JP) 2009-03-18 EP disclosed
EP-1270736-B1 FILMS FOR ASSAYING PROTEASE ACTIVITY FUJIFILM CORP (JP) 2009-03-11 EP disclosed
EP-1686188-A1 Thin membrane for measuring protease activity Fuji Photo Film Co. Ltd. (JP) 2006-08-02 EP disclosed
WO-2003003011-A1 MODIFICATION OF ANGIOGENESIS BY TARGETING PROTEIN TYROSINE PHOSPHATASES UNISEARCH LIMITED (AU) 2003-01-09 WO disclosed
EP-1270736-A1 FILMS FOR ASSAYING PROTEASE ACTIVITY FUJI PHOTO FILM CO., LTD. (JP) 2003-01-02 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed
US-4536346-A TREATMENT OF ATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed
EP-0124791-A1 Aralkanamidophenyl compounds AMERICAN CYANAMID COMPANY (US) 1984-11-14 EP disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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 (1 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-20140121165-A1 Induction of the Mitochondrial Permeability Transition TFAM, NME4, TIMM50 CA12 3865/4885CA2 2015/4885CA9 3293/4885

“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.